2-(3,3-dimethyl-2-oxidanylidene-butyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(3,3-dimethyl-2-oxobutyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 4-(4-fluorophenyl)-2-(2-keto-3,3-dimethyl-butyl)-5-(4-mesylphenyl)pyridazin-3-one Formula: C23H23FN2O4S MolecularWeight: 442.503123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C(=O)C(=C(C=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C(=O)CN1C(=O)C(=C(C=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H23FN2O4S/c1-23(2,3)20(27)14-26-22(28)21(16-5-9-17(24)10-6-16)19(13-25-26)15-7-11-18(12-8-15)31(4,29)30/h5-13H,14H2,1-4H3