4-(2,2-dimethyl-3-oxidanyl-propoxy)-2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one

Systemtic Name: 4-(2,2-dimethyl-3-oxidanyl-propoxy)-2-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-(4-fluorophenyl)-4-(3-hydroxy-2,2-dimethyl-propoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(4-fluorophenyl)-4-(3-hydroxy-2,2-dimethylpropoxy)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-(4-fluorophenyl)-4-(3-hydroxy-2,2-dimethylpropoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(4-fluorophenyl)-4-(3-hydroxy-2,2-dimethyl-propoxy)-5-(4-mesylphenyl)pyridazin-3-one Formula: C22H23FN2O5S MolecularWeight: 446.491823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)COC1=C(C=NN(C1=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(CO)COC1=C(C=NN(C1=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C

InChI

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