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

Systemtic Name: 3-[3-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[[4-(4-ethoxyphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[[4-(4-ethoxyphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[[4-(4-ethoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[[4-p-phenetyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propyl]-1H-benzimidazol-2-one Formula: C25H24N6O2S MolecularWeight: 472.56206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C4=CC=CC=C4NC3=O)C5=CN=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C4=CC=CC=C4NC3=O)C5=CN=CC=C5

InChI

InChI=1S/C25H24N6O2S/c1-2-33-20-12-10-19(11-13-20)31-23(18-7-5-14-26-17-18)28-29-25(31)34-16-6-15-30-22-9-4-3-8-21(22)27-24(30)32/h3-5,7-14,17H,2,6,15-16H2,1H3,(H,27,32)