trifluoromethyl 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-6-oxidanylidene-pyridazine-1-carboxylate

Systemtic Name: trifluoromethyl 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-6-oxidanylidene-pyridazine-1-carboxylate Openeye Name: trifluoromethyl 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-6-oxo-pyridazine-1-carboxylate CAS Name: 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-6-oxo-1-pyridazinecarboxylic acid trifluoromethyl ester IUPAC Name: trifluoromethyl 5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-6-oxopyridazine-1-carboxylate Traditional Name: 5-(4-fluorophenyl)-6-keto-4-(4-mesylphenyl)pyridazine-1-carboxylic acid trifluoromethyl ester Formula: C19H12F4N2O5S MolecularWeight: 456.367593

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)C(=O)OC(F)(F)F)C3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)C(=O)OC(F)(F)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H12F4N2O5S/c1-31(28,29)14-8-4-11(5-9-14)15-10-24-25(18(27)30-19(21,22)23)17(26)16(15)12-2-6-13(20)7-3-12/h2-10H,1H3