2-(3-chloranyl-4-fluoranyl-phenyl)-4-(2-methylpropoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one

Systemtic Name: 2-(3-chloranyl-4-fluoranyl-phenyl)-4-(2-methylpropoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-(3-chloro-4-fluoro-phenyl)-4-isobutoxy-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(3-chloro-4-fluorophenyl)-4-(2-methylpropoxy)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-(3-chloro-4-fluorophenyl)-4-(2-methylpropoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(3-chloro-4-fluoro-phenyl)-4-isobutoxy-5-(4-mesylphenyl)pyridazin-3-one Formula: C21H20ClFN2O4S MolecularWeight: 450.910903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClFN2O4S/c1-13(2)12-29-20-17(14-4-7-16(8-5-14)30(3,27)28)11-24-25(21(20)26)15-6-9-19(23)18(22)10-15/h4-11,13H,12H2,1-3H3