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

Systemtic Name: 2-(4-fluorophenyl)-4-(3-methyl-4-oxidanyl-butoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-(4-fluorophenyl)-4-(4-hydroxy-3-methyl-butoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(4-fluorophenyl)-4-(4-hydroxy-3-methylbutoxy)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-(4-fluorophenyl)-4-(4-hydroxy-3-methylbutoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(4-fluorophenyl)-4-(4-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(CCOC1=C(C=NN(C1=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C)CO

Isomeric SMILES

CC(CCOC1=C(C=NN(C1=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C)CO

InChI

InChI=1S/C22H23FN2O5S/c1-15(14-26)11-12-30-21-20(16-3-9-19(10-4-16)31(2,28)29)13-24-25(22(21)27)18-7-5-17(23)6-8-18/h3-10,13,15,26H,11-12,14H2,1-2H3