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

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O5S/c1-15(14-26)10-11-30-21-20(16-6-8-19(9-7-16)31(2,28)29)13-24-25(22(21)27)18-5-3-4-17(23)12-18/h3-9,12-13,15,26H,10-11,14H2,1-2H3