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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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