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

Systemtic Name: 2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Openeye Name: 2-[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole CAS Name: 2-[[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-1H-benzimidazole IUPAC Name: 2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole Traditional Name: 2-[[[4-(p-tolyl)-5-(4-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=NC=C5

Isomeric SMILES

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

InChI

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