4-[1-(4-fluorophenyl)ethoxy]-5-(4-methylsulfonylphenyl)-2-[2,2,2-tris(fluoranyl)ethyl]pyridazin-3-one

Systemtic Name: 4-[1-(4-fluorophenyl)ethoxy]-5-(4-methylsulfonylphenyl)-2-[2,2,2-tris(fluoranyl)ethyl]pyridazin-3-one Openeye Name: 4-[1-(4-fluorophenyl)ethoxy]-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one CAS Name: 4-[1-(4-fluorophenyl)ethoxy]-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)-3-pyridazinone IUPAC Name: 4-[1-(4-fluorophenyl)ethoxy]-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one Traditional Name: 4-[1-(4-fluorophenyl)ethoxy]-5-(4-mesylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one Formula: C21H18F4N2O4S MolecularWeight: 470.437233

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)OC2=C(C=NN(C2=O)CC(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C1=CC=C(C=C1)F)OC2=C(C=NN(C2=O)CC(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H18F4N2O4S/c1-13(14-3-7-16(22)8-4-14)31-19-18(11-26-27(20(19)28)12-21(23,24)25)15-5-9-17(10-6-15)32(2,29)30/h3-11,13H,12H2,1-2H3