4-(4-fluorophenyl)-2-(3-methyl-3-oxidanyl-butoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one

Systemtic Name: 4-(4-fluorophenyl)-2-(3-methyl-3-oxidanyl-butoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 4-(4-fluorophenyl)-2-(3-hydroxy-3-methyl-butoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 4-(4-fluorophenyl)-2-(3-hydroxy-3-methylbutoxy)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 4-(4-fluorophenyl)-2-(3-hydroxy-3-methylbutoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 4-(4-fluorophenyl)-2-(3-hydroxy-3-methyl-butoxy)-5-(4-mesylphenyl)pyridazin-3-one Formula: C22H23FN2O5S MolecularWeight: 446.491823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCON1C(=O)C(=C(C=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F)O

Isomeric SMILES

CC(C)(CCON1C(=O)C(=C(C=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)F)O

InChI

InChI=1S/C22H23FN2O5S/c1-22(2,27)12-13-30-25-21(26)20(16-4-8-17(23)9-5-16)19(14-24-25)15-6-10-18(11-7-15)31(3,28)29/h4-11,14,27H,12-13H2,1-3H3