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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

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