4-(2-methylphenyl)-5-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(2-methylphenyl)-5-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(o-tolyl)-5-[[2-(2-pyridyl)benzimidazol-1-yl]methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(2-methylphenyl)-5-[[2-(2-pyridinyl)-1-benzimidazolyl]methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2-methylphenyl)-5-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(o-tolyl)-5-[[2-(2-pyridyl)benzimidazol-1-yl]methyl]-1,2,4-triazole-3-thiolate Formula: C22H17N6S- MolecularWeight: 397.47558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2[S-])CN3C4=CC=CC=C4N=C3C5=CC=CC=N5

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2[S-])CN3C4=CC=CC=C4N=C3C5=CC=CC=N5

InChI

InChI=1S/C22H18N6S/c1-15-8-2-4-11-18(15)28-20(25-26-22(28)29)14-27-19-12-5-3-9-16(19)24-21(27)17-10-6-7-13-23-17/h2-13H,14H2,1H3,(H,26,29)/p-1