2-(4-chloranyl-3-fluoranyl-phenyl)-4-(3-methyl-2-oxidanyl-butoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one

Systemtic Name: 2-(4-chloranyl-3-fluoranyl-phenyl)-4-(3-methyl-2-oxidanyl-butoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-(4-chloro-3-fluoro-phenyl)-4-(2-hydroxy-3-methyl-butoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(4-chloro-3-fluorophenyl)-4-(2-hydroxy-3-methylbutoxy)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-(4-chloro-3-fluorophenyl)-4-(2-hydroxy-3-methylbutoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(4-chloro-3-fluoro-phenyl)-4-(2-hydroxy-3-methyl-butoxy)-5-(4-mesylphenyl)pyridazin-3-one Formula: C22H22ClFN2O5S MolecularWeight: 480.936883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(COC1=C(C=NN(C1=O)C2=CC(=C(C=C2)Cl)F)C3=CC=C(C=C3)S(=O)(=O)C)O

Isomeric SMILES

CC(C)C(COC1=C(C=NN(C1=O)C2=CC(=C(C=C2)Cl)F)C3=CC=C(C=C3)S(=O)(=O)C)O

InChI

InChI=1S/C22H22ClFN2O5S/c1-13(2)20(27)12-31-21-17(14-4-7-16(8-5-14)32(3,29)30)11-25-26(22(21)28)15-6-9-18(23)19(24)10-15/h4-11,13,20,27H,12H2,1-3H3