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

Systemtic Name: 5-(3-methyl-3-oxidanyl-butoxy)-4-(4-methylsulfonylphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Openeye Name: 5-(3-hydroxy-3-methyl-butoxy)-4-(4-methylsulfonylphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one CAS Name: 5-(3-hydroxy-3-methylbutoxy)-4-(4-methylsulfonylphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one IUPAC Name: 5-(3-hydroxy-3-methylbutoxy)-4-(4-methylsulfonylphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Traditional Name: 5-(3-hydroxy-3-methyl-butoxy)-4-(4-mesylphenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyridazin-6-one Formula: C23H23F3N2O5S MolecularWeight: 496.49933

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCOC1=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)(CCOC1=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/C23H23F3N2O5S/c1-22(2,30)11-12-33-20-18(14-7-9-17(10-8-14)34(3,31)32)19(27-28-21(20)29)15-5-4-6-16(13-15)23(24,25)26/h4-10,13,30H,11-12H2,1-3H3,(H,28,29)