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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4OS/c22-17(21-10-3-1-2-4-11-21)13-23-16-8-7-15(19-20-16)14-6-5-9-18-12-14/h5-9,12H,1-4,10-11,13H2