4-(2-methylphenyl)-3-[(phenylmethylsulfanyl)methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(2-methylphenyl)-3-[(phenylmethylsulfanyl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(benzylsulfanylmethyl)-4-(o-tolyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(2-methylphenyl)-3-[(phenylmethylthio)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(benzylsulfanylmethyl)-4-(2-methylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(benzylthio)methyl]-4-(o-tolyl)-1H-1,2,4-triazole-5-thione Formula: C17H17N3S2 MolecularWeight: 327.46698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NNC2=S)CSCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1N2C(=NNC2=S)CSCC3=CC=CC=C3

InChI

InChI=1S/C17H17N3S2/c1-13-7-5-6-10-15(13)20-16(18-19-17(20)21)12-22-11-14-8-3-2-4-9-14/h2-10H,11-12H2,1H3,(H,19,21)