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

Systemtic Name: 3-[3-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[[4-(2-isopropylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[[4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[[4-o-cumenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propyl]-1H-benzimidazol-2-one Formula: C26H26N6OS MolecularWeight: 470.58924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=NN=C2SCCCN3C4=CC=CC=C4NC3=O)C5=CN=CC=C5

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=NN=C2SCCCN3C4=CC=CC=C4NC3=O)C5=CN=CC=C5

InChI

InChI=1S/C26H26N6OS/c1-18(2)20-10-3-5-12-22(20)32-24(19-9-7-14-27-17-19)29-30-26(32)34-16-8-15-31-23-13-6-4-11-21(23)28-25(31)33/h3-7,9-14,17-18H,8,15-16H2,1-2H3,(H,28,33)