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

Systemtic Name: 5-[(2-methylphenyl)sulfanylmethyl]-4-(phenylmethyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-benzyl-5-(o-tolylsulfanylmethyl)-1,2,4-triazole-3-thiolate CAS Name: 5-[[(2-methylphenyl)thio]methyl]-4-(phenylmethyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-benzyl-5-[(2-methylphenyl)sulfanylmethyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-benzyl-5-[(o-tolylthio)methyl]-1,2,4-triazole-3-thiolate Formula: C17H16N3S2- MolecularWeight: 326.45904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC2=NN=C(N2CC3=CC=CC=C3)[S-]

Isomeric SMILES

CC1=CC=CC=C1SCC2=NN=C(N2CC3=CC=CC=C3)[S-]

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)/p-1