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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > organofluorine compound > s-[5-(trifluoromethyl)-4h-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate
organooxygen compound > carbonyl compound > thioester > s-[5-(trifluoromethyl)-4h-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > thioester > s-[5-(trifluoromethyl)-4h-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate
organooxygen compound > oxacycle > furans > s-[5-(trifluoromethyl)-4h-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > furans > s-[5-(trifluoromethyl)-4h-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > furans > s-[5-(trifluoromethyl)-4h-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > furans > s-[5-(trifluoromethyl)-4h-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > furans > s-[5-(trifluoromethyl)-4h-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > azole > triazoles > s-[5-(trifluoromethyl)-4h-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > azole > triazoles > s-[5-(trifluoromethyl)-4h-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > triazoles > s-[5-(trifluoromethyl)-4h-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > triazoles > s-[5-(trifluoromethyl)-4h-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > heteroarene > monocyclic heteroarene > azole > triazoles > s-[5-(trifluoromethyl)-4h-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > heteroarene > monocyclic heteroarene > azole > triazoles > s-[5-(trifluoromethyl)-4h-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate

Preferred term

s-[5-(trifluoromethyl)-4h-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C16H8F3N3O2S

inchi

  • InChI=1S/C16H8F3N3O2S/c17-16(18,19)14-20-15(22-21-14)25-13(23)12-9-8-11(24-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,(H,20,21,22)

inchikey

  • VNGWUVBXUIDQTK-UHFFFAOYSA-N

mass

  • 363.31495

monoisotopicmass

  • 363.02893

smiles

  • FC(F)(F)c1nnc(SC(=O)c2ccc(o2)C#Cc2ccccc2)[nH]1

subset

  • 3_STAR

synonym EXACT

  • S-[5-(TRIFLUOROMETHYL)-4H-1,2,4-TRIAZOL-3-YL] 5-(PHENYLETHYNYL)FURAN-2-CARBOTHIOATE
  • S-[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl] 5-(phenylethynyl)furan-2-carbothioate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:42403

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