2-[1-ethyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]quinoline

Systemtic Name: 2-[1-ethyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]quinoline Openeye Name: 2-[1-ethyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]quinoline CAS Name: 2-[1-ethyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4-pyrazolyl]quinoline IUPAC Name: 2-[1-ethyl-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]quinoline Traditional Name: 2-[1-ethyl-3-(4-mesylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]quinoline Formula: C22H18F3N3O2S MolecularWeight: 445.45743

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=NC4=CC=CC=C4C=C3)C(F)(F)F

Isomeric SMILES

CCN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=NC4=CC=CC=C4C=C3)C(F)(F)F

InChI

InChI=1S/C22H18F3N3O2S/c1-3-28-21(22(23,24)25)19(18-13-10-14-6-4-5-7-17(14)26-18)20(27-28)15-8-11-16(12-9-15)31(2,29)30/h4-13H,3H2,1-2H3