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

Systemtic Name: 4-(4-ethenylphenyl)-5-(4-methylsulfonylphenyl)-2-[2,2,2-tris(fluoranyl)ethyl]pyridazin-3-one Openeye Name: 5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)-4-(4-vinylphenyl)pyridazin-3-one CAS Name: 4-(4-ethenylphenyl)-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)-3-pyridazinone IUPAC Name: 4-(4-ethenylphenyl)-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one Traditional Name: 5-(4-mesylphenyl)-2-(2,2,2-trifluoroethyl)-4-(4-vinylphenyl)pyridazin-3-one Formula: C21H17F3N2O3S MolecularWeight: 434.43149

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)CC(F)(F)F)C3=CC=C(C=C3)C=C

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)N(N=C2)CC(F)(F)F)C3=CC=C(C=C3)C=C

InChI

InChI=1S/C21H17F3N2O3S/c1-3-14-4-6-16(7-5-14)19-18(12-25-26(20(19)27)13-21(22,23)24)15-8-10-17(11-9-15)30(2,28)29/h3-12H,1,13H2,2H3