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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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