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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > carbopolycyclic compound > carbobicyclic compound > naphthalenes > 3,4,5-trifluorobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > carbopolycyclic compound > carbobicyclic compound > naphthalenes > 3,4,5-trifluorobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > naphthalenes > 3,4,5-trifluorobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > naphthalenes > 3,4,5-trifluorobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > naphthalenes > 3,4,5-trifluorobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > naphthalenes > 3,4,5-trifluorobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester

Preferred term

3,4,5-trifluorobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester  

Type

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

Broader concept

charge

  • 0

formula

  • C23H13F3N2O3S

inchi

  • InChI=1S/C23H13F3N2O3S/c24-18-12-15(13-19(25)20(18)26)22(29)30-10-3-4-11-32-23-28-27-21(31-23)17-9-5-7-14-6-1-2-8-16(14)17/h1-2,5-9,12-13H,10-11H2

inchikey

  • REAKASMONPHWMT-UHFFFAOYSA-N

mass

  • 454.423

monoisotopicmass

  • 454.05990

smiles

  • C1=CC=C2C(=C1)C=CC=C2C3=NN=C(O3)SCC#CCOC(=O)C4=CC(=C(C(=C4)F)F)F

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:93023

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