1-(azepan-1-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[6-(2-pyridyl)pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[6-(2-pyridinyl)-3-pyridazinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[6-(2-pyridyl)pyridazin-3-yl]thio]ethanone Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC=CC=N3

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC=CC=N3

InChI

InChI=1S/C17H20N4OS/c22-17(21-11-5-1-2-6-12-21)13-23-16-9-8-15(19-20-16)14-7-3-4-10-18-14/h3-4,7-10H,1-2,5-6,11-13H2