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

Systemtic Name: 1-(azepan-1-yl)-2-[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[[3-(1H-benzimidazol-2-yl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[3-(1H-benzimidazol-2-yl)-2-pyridyl]thio]ethanone Formula: C20H22N4OS MolecularWeight: 366.47988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=C(C=CC=N2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=C(C=CC=N2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C20H22N4OS/c25-18(24-12-5-1-2-6-13-24)14-26-20-15(8-7-11-21-20)19-22-16-9-3-4-10-17(16)23-19/h3-4,7-11H,1-2,5-6,12-14H2,(H,22,23)