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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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