2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(3-nitrophenyl)ethanone Openeye Name: 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(3-nitrophenyl)ethanone CAS Name: 2-[[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]thio]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-1-(3-nitrophenyl)ethanone Traditional Name: 2-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]thio]-1-(3-nitrophenyl)ethanone Formula: C20H17N3O5S MolecularWeight: 411.43108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(C=C2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(C=C2)SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H17N3O5S/c1-27-18-8-6-13(11-19(18)28-2)16-7-9-20(22-21-16)29-12-17(24)14-4-3-5-15(10-14)23(25)26/h3-11H,12H2,1-2H3