3-[(2-methylphenyl)sulfanylmethyl]-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(2-methylphenyl)sulfanylmethyl]-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-benzyl-3-(o-tolylsulfanylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[[(2-methylphenyl)thio]methyl]-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-benzyl-3-[(2-methylphenyl)sulfanylmethyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-benzyl-3-[(o-tolylthio)methyl]-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=C1SCC2=NNC(=S)N2CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1SCC2=NNC(=S)N2CC3=CC=CC=C3

InChI

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