1-(azepan-1-yl)-2-(3-imidazol-1-ylcarbonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(3-imidazol-1-ylcarbonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[[3-(imidazole-1-carbonyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[3-[1-imidazolyl(oxo)methyl]-2-pyridinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[3-(imidazole-1-carbonyl)pyridin-2-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[3-(imidazole-1-carbonyl)-2-pyridyl]thio]ethanone Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=C(C=CC=N2)C(=O)N3C=CN=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=C(C=CC=N2)C(=O)N3C=CN=C3

InChI

InChI=1S/C17H20N4O2S/c22-15(20-9-3-1-2-4-10-20)12-24-16-14(6-5-7-19-16)17(23)21-11-8-18-13-21/h5-8,11,13H,1-4,9-10,12H2