6-methyl-N-(4-methylsulfonylphenyl)-4-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

Systemtic Name: 6-methyl-N-(4-methylsulfonylphenyl)-4-oxidanylidene-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Openeye Name: 6-methyl-N-(4-methylsulfonylphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide CAS Name: 6-methyl-N-(4-methylsulfonylphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridazinecarboxamide IUPAC Name: 6-methyl-N-(4-methylsulfonylphenyl)-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Traditional Name: 4-keto-N-(4-mesylphenyl)-6-methyl-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide Formula: C20H16F3N3O4S MolecularWeight: 451.41895

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H16F3N3O4S/c1-12-10-17(27)18(19(28)24-14-6-8-16(9-7-14)31(2,29)30)25-26(12)15-5-3-4-13(11-15)20(21,22)23/h3-11H,1-2H3,(H,24,28)