2-[[4-(4-methylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole

Systemtic Name: 2-[[4-(4-methylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[4-(p-tolyl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[4-(4-methylphenyl)-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[[4-(4-methylphenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[4-(p-tolyl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole Formula: C22H18N6S MolecularWeight: 398.48352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4N3)C5=CC=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4N3)C5=CC=CC=N5

InChI

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