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

Systemtic Name: 2-(3-chlorophenyl)-4-(3-methyl-3-oxidanyl-butoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-(3-chlorophenyl)-4-(3-hydroxy-3-methyl-butoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(3-chlorophenyl)-4-(3-hydroxy-3-methylbutoxy)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-(3-chlorophenyl)-4-(3-hydroxy-3-methylbutoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(3-chlorophenyl)-4-(3-hydroxy-3-methyl-butoxy)-5-(4-mesylphenyl)pyridazin-3-one Formula: C22H23ClN2O5S MolecularWeight: 462.94642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O5S/c1-22(2,27)11-12-30-20-19(15-7-9-18(10-8-15)31(3,28)29)14-24-25(21(20)26)17-6-4-5-16(23)13-17/h4-10,13-14,27H,11-12H2,1-3H3