2-(3-chlorophenyl)-5-(3-fluoranyl-4-methylsulfanyl-phenyl)-4-(2-methylpropoxy)pyridazin-3-one

Systemtic Name: 2-(3-chlorophenyl)-5-(3-fluoranyl-4-methylsulfanyl-phenyl)-4-(2-methylpropoxy)pyridazin-3-one Openeye Name: 2-(3-chlorophenyl)-5-(3-fluoro-4-methylsulfanyl-phenyl)-4-isobutoxy-pyridazin-3-one CAS Name: 2-(3-chlorophenyl)-5-[3-fluoro-4-(methylthio)phenyl]-4-(2-methylpropoxy)-3-pyridazinone IUPAC Name: 2-(3-chlorophenyl)-5-(3-fluoro-4-methylsulfanylphenyl)-4-(2-methylpropoxy)pyridazin-3-one Traditional Name: 2-(3-chlorophenyl)-5-[3-fluoro-4-(methylthio)phenyl]-4-isobutoxy-pyridazin-3-one Formula: C21H20ClFN2O2S MolecularWeight: 418.912103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClFN2O2S/c1-13(2)12-27-20-17(14-7-8-19(28-3)18(23)9-14)11-24-25(21(20)26)16-6-4-5-15(22)10-16/h4-11,13H,12H2,1-3H3