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

Systemtic Name: quinolin-8-yl 4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate Openeye Name: 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 8-quinolinyl ester IUPAC Name: quinolin-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 8-quinolyl ester Formula: C24H14F3N3O2S MolecularWeight: 465.44707

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)OC(=O)C3=CC=C(C=C3)N4C(=CC(=N4)C(F)(F)F)C5=CC=CS5)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)OC(=O)C3=CC=C(C=C3)N4C(=CC(=N4)C(F)(F)F)C5=CC=CS5)N=CC=C2

InChI

InChI=1S/C24H14F3N3O2S/c25-24(26,27)21-14-18(20-7-3-13-33-20)30(29-21)17-10-8-16(9-11-17)23(31)32-19-6-1-4-15-5-2-12-28-22(15)19/h1-14H