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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > triazoles > 4-(3,4-dimethylphenyl)-3-(5-methyl-3-isoxazolyl)-1h-1,2,4-triazole-5-thione

Preferred term

4-(3,4-dimethylphenyl)-3-(5-methyl-3-isoxazolyl)-1h-1,2,4-triazole-5-thione  

Type

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

Broader concept

charge

  • 0

formula

  • C14H14N4OS

inchi

  • InChI=1S/C14H14N4OS/c1-8-4-5-11(6-9(8)2)18-13(15-16-14(18)20)12-7-10(3)19-17-12/h4-7H,1-3H3,(H,16,20)

inchikey

  • MAUONHAEARXFHE-UHFFFAOYSA-N

mass

  • 286.354

monoisotopicmass

  • 286.08883

smiles

  • CC1=C(C=C(C=C1)N2C(=NNC2=S)C3=NOC(=C3)C)C

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:111229

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