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

Systemtic Name: 2-(3-chloranyl-4-fluoranyl-phenyl)-4-(2-methyl-2-oxidanyl-propoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-(3-chloro-4-fluoro-phenyl)-4-(2-hydroxy-2-methyl-propoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(3-chloro-4-fluorophenyl)-4-(2-hydroxy-2-methylpropoxy)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-(3-chloro-4-fluorophenyl)-4-(2-hydroxy-2-methylpropoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(3-chloro-4-fluoro-phenyl)-4-(2-hydroxy-2-methyl-propoxy)-5-(4-mesylphenyl)pyridazin-3-one Formula: C21H20ClFN2O5S MolecularWeight: 466.910303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClFN2O5S/c1-21(2,27)12-30-19-16(13-4-7-15(8-5-13)31(3,28)29)11-24-25(20(19)26)14-6-9-18(23)17(22)10-14/h4-11,27H,12H2,1-3H3