N-(4-methyl-2-oxidanyl-phenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-(4-methyl-2-oxidanyl-phenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(2-hydroxy-4-methyl-phenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-(2-hydroxy-4-methylphenyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(2-hydroxy-4-methylphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(2-hydroxy-4-methyl-phenyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NN3)O

InChI

InChI=1S/C17H16N4O2S/c1-11-2-7-14(15(22)8-11)20-16(23)13-5-3-12(4-6-13)9-24-17-18-10-19-21-17/h2-8,10,22H,9H2,1H3,(H,20,23)(H,18,19,21)