2-(3-chlorophenyl)-4-(2,2-dimethylpropoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one

Systemtic Name: 2-(3-chlorophenyl)-4-(2,2-dimethylpropoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-(3-chlorophenyl)-4-(2,2-dimethylpropoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(3-chlorophenyl)-4-(2,2-dimethylpropoxy)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-(3-chlorophenyl)-4-(2,2-dimethylpropoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(3-chlorophenyl)-5-(4-mesylphenyl)-4-neopentyloxy-pyridazin-3-one Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O4S/c1-22(2,3)14-29-20-19(15-8-10-18(11-9-15)30(4,27)28)13-24-25(21(20)26)17-7-5-6-16(23)12-17/h5-13H,14H2,1-4H3