1-(azepan-1-yl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[6-(4-pyridyl)pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[(6-pyridin-4-yl-3-pyridazinyl)thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[6-(4-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=NC=C3

Isomeric SMILES

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

InChI

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