5-(2-methyl-2-oxidanyl-propoxy)-4-(4-methylsulfonylphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one

Systemtic Name: 5-(2-methyl-2-oxidanyl-propoxy)-4-(4-methylsulfonylphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Openeye Name: 5-(2-hydroxy-2-methyl-propoxy)-4-(4-methylsulfonylphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one CAS Name: 5-(2-hydroxy-2-methylpropoxy)-4-(4-methylsulfonylphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one IUPAC Name: 5-(2-hydroxy-2-methylpropoxy)-4-(4-methylsulfonylphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Traditional Name: 5-(2-hydroxy-2-methyl-propoxy)-4-(4-mesylphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Formula: C22H21F3N2O5S MolecularWeight: 482.47275

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC1=C(C(=NNC1=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(=NNC1=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)12-32-19-17(13-7-9-16(10-8-13)33(3,30)31)18(26-27-20(19)28)14-5-4-6-15(11-14)22(23,24)25/h4-11,29H,12H2,1-3H3,(H,27,28)