5-[(2-methylphenyl)methylsulfanylmethyl]-4-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(2-methylphenyl)methylsulfanylmethyl]-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-(o-tolylmethylsulfanylmethyl)-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[[(2-methylphenyl)methylthio]methyl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(2-methylphenyl)methylsulfanylmethyl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[[(2-methylbenzyl)thio]methyl]-4-phenyl-1,2,4-triazole-3-thiolate Formula: C17H16N3S2- MolecularWeight: 326.45904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC2=NN=C(N2C3=CC=CC=C3)[S-]

Isomeric SMILES

CC1=CC=CC=C1CSCC2=NN=C(N2C3=CC=CC=C3)[S-]

InChI

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