2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(4-nitrophenyl)acetamide CAS Name: 2-[[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C20H18N4O5S MolecularWeight: 426.44572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(C=C2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H18N4O5S/c1-28-17-9-3-13(11-18(17)29-2)16-8-10-20(23-22-16)30-12-19(25)21-14-4-6-15(7-5-14)24(26)27/h3-11H,12H2,1-2H3,(H,21,25)