2-[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanyl-1-(3-methoxyphenyl)ethanone

Systemtic Name: 2-[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanyl-1-(3-methoxyphenyl)ethanone Openeye Name: 2-[[3-(1H-benzimidazol-2-yl)-2-pyridyl]sulfanyl]-1-(3-methoxyphenyl)ethanone CAS Name: 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]thio]-1-(3-methoxyphenyl)ethanone IUPAC Name: 2-[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanyl-1-(3-methoxyphenyl)ethanone Traditional Name: 2-[[3-(1H-benzimidazol-2-yl)-2-pyridyl]thio]-1-(3-methoxyphenyl)ethanone Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)CSC2=C(C=CC=N2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)CSC2=C(C=CC=N2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H17N3O2S/c1-26-15-7-4-6-14(12-15)19(25)13-27-21-16(8-5-11-22-21)20-23-17-9-2-3-10-18(17)24-20/h2-12H,13H2,1H3,(H,23,24)