ethyl 4-[4-fluoranyl-3-(trifluoromethyl)phenyl]sulfonyloxy-1-(2-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate

Systemtic Name: ethyl 4-[4-fluoranyl-3-(trifluoromethyl)phenyl]sulfonyloxy-1-(2-methylphenyl)-6-oxidanylidene-pyridazine-3-carboxylate Openeye Name: ethyl 4-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyloxy-1-(o-tolyl)-6-oxo-pyridazine-3-carboxylate CAS Name: 4-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyloxy-1-(2-methylphenyl)-6-oxo-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyloxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxylate Traditional Name: 4-[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyloxy-6-keto-1-(o-tolyl)pyridazine-3-carboxylic acid ethyl ester Formula: C21H16F4N2O6S MolecularWeight: 500.420153

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1OS(=O)(=O)C2=CC(=C(C=C2)F)C(F)(F)F)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1OS(=O)(=O)C2=CC(=C(C=C2)F)C(F)(F)F)C3=CC=CC=C3C

InChI

InChI=1S/C21H16F4N2O6S/c1-3-32-20(29)19-17(11-18(28)27(26-19)16-7-5-4-6-12(16)2)33-34(30,31)13-8-9-15(22)14(10-13)21(23,24)25/h4-11H,3H2,1-2H3