(2-methylquinolin-8-yl) 4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate

Systemtic Name: (2-methylquinolin-8-yl) 4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate Openeye Name: (2-methyl-8-quinolyl) 4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoate CAS Name: 4-[5-thiophen-2-yl-3-(trifluoromethyl)-1-pyrazolyl]benzoic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) 4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate Traditional Name: 4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid (2-methyl-8-quinolyl) ester Formula: C25H16F3N3O2S MolecularWeight: 479.47365

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC(=O)C3=CC=C(C=C3)N4C(=CC(=N4)C(F)(F)F)C5=CC=CS5)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC(=O)C3=CC=C(C=C3)N4C(=CC(=N4)C(F)(F)F)C5=CC=CS5)C=C1

InChI

InChI=1S/C25H16F3N3O2S/c1-15-7-8-16-4-2-5-20(23(16)29-15)33-24(32)17-9-11-18(12-10-17)31-19(21-6-3-13-34-21)14-22(30-31)25(26,27)28/h2-14H,1H3