2-(3-chloranyl-4-fluoranyl-phenyl)-4-(2-methyl-3-oxidanyl-propoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one

Systemtic Name: 2-(3-chloranyl-4-fluoranyl-phenyl)-4-(2-methyl-3-oxidanyl-propoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Openeye Name: 2-(3-chloro-4-fluoro-phenyl)-4-(3-hydroxy-2-methyl-propoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one CAS Name: 2-(3-chloro-4-fluorophenyl)-4-(3-hydroxy-2-methylpropoxy)-5-(4-methylsulfonylphenyl)-3-pyridazinone IUPAC Name: 2-(3-chloro-4-fluorophenyl)-4-(3-hydroxy-2-methylpropoxy)-5-(4-methylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(3-chloro-4-fluoro-phenyl)-4-(3-hydroxy-2-methyl-propoxy)-5-(4-mesylphenyl)pyridazin-3-one Formula: C21H20ClFN2O5S MolecularWeight: 466.910303

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)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(CO)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/C21H20ClFN2O5S/c1-13(11-26)12-30-20-17(14-3-6-16(7-4-14)31(2,28)29)10-24-25(21(20)27)15-5-8-19(23)18(22)9-15/h3-10,13,26H,11-12H2,1-2H3