2-(3-chloranyl-4-fluoranyl-phenyl)-5-(3-fluoranyl-4-methylsulfonyl-phenyl)-4-(3-methylbutyl)pyridazin-3-one

Systemtic Name: 2-(3-chloranyl-4-fluoranyl-phenyl)-5-(3-fluoranyl-4-methylsulfonyl-phenyl)-4-(3-methylbutyl)pyridazin-3-one Openeye Name: 2-(3-chloro-4-fluoro-phenyl)-5-(3-fluoro-4-methylsulfonyl-phenyl)-4-isopentyl-pyridazin-3-one CAS Name: 2-(3-chloro-4-fluorophenyl)-5-(3-fluoro-4-methylsulfonylphenyl)-4-(3-methylbutyl)-3-pyridazinone IUPAC Name: 2-(3-chloro-4-fluorophenyl)-5-(3-fluoro-4-methylsulfonylphenyl)-4-(3-methylbutyl)pyridazin-3-one Traditional Name: 2-(3-chloro-4-fluoro-phenyl)-5-(3-fluoro-4-mesyl-phenyl)-4-isoamyl-pyridazin-3-one Formula: C22H21ClF2N2O3S MolecularWeight: 466.928546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(C=NN(C1=O)C2=CC(=C(C=C2)F)Cl)C3=CC(=C(C=C3)S(=O)(=O)C)F

Isomeric SMILES

CC(C)CCC1=C(C=NN(C1=O)C2=CC(=C(C=C2)F)Cl)C3=CC(=C(C=C3)S(=O)(=O)C)F

InChI

InChI=1S/C22H21ClF2N2O3S/c1-13(2)4-7-16-17(14-5-9-21(20(25)10-14)31(3,29)30)12-26-27(22(16)28)15-6-8-19(24)18(23)11-15/h5-6,8-13H,4,7H2,1-3H3