3-[3-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[[4-(o-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propyl]-1H-benzimidazol-2-one Formula: C24H22N6OS MolecularWeight: 442.53608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCCCN3C4=CC=CC=C4NC3=O)C5=CC=NC=C5

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCCCN3C4=CC=CC=C4NC3=O)C5=CC=NC=C5

InChI

InChI=1S/C24H22N6OS/c1-17-7-2-4-9-20(17)30-22(18-11-13-25-14-12-18)27-28-24(30)32-16-6-15-29-21-10-5-3-8-19(21)26-23(29)31/h2-5,7-14H,6,15-16H2,1H3,(H,26,31)