4-(2-methyl-2-oxidanyl-propoxy)-5-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one

Systemtic Name: 4-(2-methyl-2-oxidanyl-propoxy)-5-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one Openeye Name: 4-(2-hydroxy-2-methyl-propoxy)-5-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one CAS Name: 4-(2-hydroxy-2-methylpropoxy)-5-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]-3-pyridazinone IUPAC Name: 4-(2-hydroxy-2-methylpropoxy)-5-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one Traditional Name: 4-(2-hydroxy-2-methyl-propoxy)-5-(4-mesylphenyl)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one Formula: C22H21F3N2O5S MolecularWeight: 482.47275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21F3N2O5S/c1-21(2,29)13-32-19-18(14-7-9-17(10-8-14)33(3,30)31)12-26-27(20(19)28)16-6-4-5-15(11-16)22(23,24)25/h4-12,29H,13H2,1-3H3