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

Systemtic Name: 4-ethoxy-5-(4-methylsulfonylphenyl)-2-[2,2,2-tris(fluoranyl)ethyl]pyridazin-3-one Openeye Name: 4-ethoxy-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one CAS Name: 4-ethoxy-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)-3-pyridazinone IUPAC Name: 4-ethoxy-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one Traditional Name: 4-ethoxy-5-(4-mesylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one Formula: C15H15F3N2O4S MolecularWeight: 376.35081

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=NN(C1=O)CC(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCOC1=C(C=NN(C1=O)CC(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C15H15F3N2O4S/c1-3-24-13-12(8-19-20(14(13)21)9-15(16,17)18)10-4-6-11(7-5-10)25(2,22)23/h4-8H,3,9H2,1-2H3