(5-methyl-2-propan-2-yl-phenyl) 4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate Openeye Name: (2-isopropyl-5-methyl-phenyl) 4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoate CAS Name: 4-[5-thiophen-2-yl-3-(trifluoromethyl)-1-pyrazolyl]benzoic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 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-isopropyl-5-methyl-phenyl) ester Formula: C25H21F3N2O2S MolecularWeight: 470.50665

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C4=CC=CS4

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C4=CC=CS4

InChI

InChI=1S/C25H21F3N2O2S/c1-15(2)19-11-6-16(3)13-21(19)32-24(31)17-7-9-18(10-8-17)30-20(22-5-4-12-33-22)14-23(29-30)25(26,27)28/h4-15H,1-3H3