2-(3-chlorophenyl)-4-(2-methyl-2-oxidanyl-propoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one

Systemtic Name: 2-(3-chlorophenyl)-4-(2-methyl-2-oxidanyl-propoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-(3-chlorophenyl)-4-(2-hydroxy-2-methyl-propoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(3-chlorophenyl)-4-(2-hydroxy-2-methylpropoxy)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-(3-chlorophenyl)-4-(2-hydroxy-2-methylpropoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(3-chlorophenyl)-4-(2-hydroxy-2-methyl-propoxy)-5-(4-mesylphenyl)pyridazin-3-one Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O5S/c1-21(2,26)13-29-19-18(14-7-9-17(10-8-14)30(3,27)28)12-23-24(20(19)25)16-6-4-5-15(22)11-16/h4-12,26H,13H2,1-3H3