1-(azepan-1-yl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[6-(3-nitrophenyl)-3-pyridazinyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[6-(3-nitrophenyl)pyridazin-3-yl]thio]ethanone Formula: C18H20N4O3S MolecularWeight: 372.4414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NN=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O3S/c23-18(21-10-3-1-2-4-11-21)13-26-17-9-8-16(19-20-17)14-6-5-7-15(12-14)22(24)25/h5-9,12H,1-4,10-11,13H2