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

Systemtic Name: 4-(3-methyl-3-oxidanyl-butoxy)-5-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one Openeye Name: 4-(3-hydroxy-3-methyl-butoxy)-5-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one CAS Name: 4-(3-hydroxy-3-methylbutoxy)-5-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]-3-pyridazinone IUPAC Name: 4-(3-hydroxy-3-methylbutoxy)-5-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one Traditional Name: 4-(3-hydroxy-3-methyl-butoxy)-5-(4-mesylphenyl)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one Formula: C23H23F3N2O5S MolecularWeight: 496.49933

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Descriptors Computed from Structure

Canonical SMILES:

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