1-(4-nitrophenyl)-2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanyl-ethanone

Systemtic Name: 1-(4-nitrophenyl)-2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanyl-ethanone Openeye Name: 1-(4-nitrophenyl)-2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanyl-ethanone CAS Name: 1-(4-nitrophenyl)-2-[[6-(3,4,5-trimethoxyphenyl)-3-pyridazinyl]thio]ethanone IUPAC Name: 1-(4-nitrophenyl)-2-[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]sulfanylethanone Traditional Name: 1-(4-nitrophenyl)-2-[[6-(3,4,5-trimethoxyphenyl)pyridazin-3-yl]thio]ethanone Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O6S/c1-28-18-10-14(11-19(29-2)21(18)30-3)16-8-9-20(23-22-16)31-12-17(25)13-4-6-15(7-5-13)24(26)27/h4-11H,12H2,1-3H3