N-(3-nitrophenyl)-2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-nitrophenyl)-2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(3-nitrophenyl)-2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(3-nitrophenyl)-2-[[6-(3,4,5-trimethoxyphenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(3-nitrophenyl)-2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(3-nitrophenyl)-2-[[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]thio]acetamide Formula: C21H20N4O6S MolecularWeight: 456.4717

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(C=C2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(C=C2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O6S/c1-29-17-9-13(10-18(30-2)21(17)31-3)16-7-8-20(24-23-16)32-12-19(26)22-14-5-4-6-15(11-14)25(27)28/h4-11H,12H2,1-3H3,(H,22,26)