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

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanyl-ethanamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanyl-acetamide CAS Name: N-(4-fluoro-3-nitrophenyl)-2-[[6-(3,4,5-trimethoxyphenyl)-3-pyridazinyl]thio]acetamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-2-[[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]thio]acetamide Formula: C21H19FN4O6S MolecularWeight: 474.462163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19FN4O6S/c1-30-17-8-12(9-18(31-2)21(17)32-3)15-6-7-20(25-24-15)33-11-19(27)23-13-4-5-14(22)16(10-13)26(28)29/h4-10H,11H2,1-3H3,(H,23,27)