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

Systemtic Name: 2-(3-chlorophenyl)-4-(2-methyl-3-oxidanyl-propoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-(3-chlorophenyl)-4-(3-hydroxy-2-methyl-propoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(3-chlorophenyl)-4-(3-hydroxy-2-methylpropoxy)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-(3-chlorophenyl)-4-(3-hydroxy-2-methylpropoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(3-chlorophenyl)-4-(3-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(CO)COC1=C(C=NN(C1=O)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O5S/c1-14(12-25)13-29-20-19(15-6-8-18(9-7-15)30(2,27)28)11-23-24(21(20)26)17-5-3-4-16(22)10-17/h3-11,14,25H,12-13H2,1-2H3