1-[1-ethyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4H-quinoline

Systemtic Name: 1-[1-ethyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4H-quinoline Openeye Name: 1-[1-ethyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4H-quinoline CAS Name: 1-[1-ethyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4-pyrazolyl]-4H-quinoline IUPAC Name: 1-[1-ethyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4H-quinoline Traditional Name: 1-[1-ethyl-3-(4-mesylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4H-quinoline Formula: C22H20F3N3O2S MolecularWeight: 447.47331

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)N3C=CCC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

CCN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)N3C=CCC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C22H20F3N3O2S/c1-3-28-21(22(23,24)25)20(27-14-6-8-15-7-4-5-9-18(15)27)19(26-28)16-10-12-17(13-11-16)31(2,29)30/h4-7,9-14H,3,8H2,1-2H3