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

Systemtic Name: 2-(3-chloranyl-4-fluoranyl-phenyl)-5-(3-fluoranyl-4-methylsulfonyl-phenyl)-4-(2-methylpropoxy)pyridazin-3-one Openeye Name: 2-(3-chloro-4-fluoro-phenyl)-5-(3-fluoro-4-methylsulfonyl-phenyl)-4-isobutoxy-pyridazin-3-one CAS Name: 2-(3-chloro-4-fluorophenyl)-5-(3-fluoro-4-methylsulfonylphenyl)-4-(2-methylpropoxy)-3-pyridazinone IUPAC Name: 2-(3-chloro-4-fluorophenyl)-5-(3-fluoro-4-methylsulfonylphenyl)-4-(2-methylpropoxy)pyridazin-3-one Traditional Name: 2-(3-chloro-4-fluoro-phenyl)-5-(3-fluoro-4-mesyl-phenyl)-4-isobutoxy-pyridazin-3-one Formula: C21H19ClF2N2O4S MolecularWeight: 468.901366

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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)F

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)F

InChI

InChI=1S/C21H19ClF2N2O4S/c1-12(2)11-30-20-15(13-4-7-19(18(24)8-13)31(3,28)29)10-25-26(21(20)27)14-5-6-17(23)16(22)9-14/h4-10,12H,11H2,1-3H3