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

Systemtic Name: 1-(azepan-1-yl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[6-(2-thienyl)pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[(6-thiophen-2-yl-3-pyridazinyl)thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[6-(2-thienyl)pyridazin-3-yl]thio]ethanone Formula: C16H19N3OS2 MolecularWeight: 333.47156

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC=CS3

InChI

InChI=1S/C16H19N3OS2/c20-16(19-9-3-1-2-4-10-19)12-22-15-8-7-13(17-18-15)14-6-5-11-21-14/h5-8,11H,1-4,9-10,12H2