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

Systemtic Name: (4-propan-2-ylphenyl) 4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate Openeye Name: (4-isopropylphenyl) 4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoate CAS Name: 4-[5-thiophen-2-yl-3-(trifluoromethyl)-1-pyrazolyl]benzoic acid (4-propan-2-ylphenyl) ester IUPAC Name: (4-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 p-cumenyl ester Formula: C24H19F3N2O2S MolecularWeight: 456.48007

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19F3N2O2S/c1-15(2)16-7-11-19(12-8-16)31-23(30)17-5-9-18(10-6-17)29-20(21-4-3-13-32-21)14-22(28-29)24(25,26)27/h3-15H,1-2H3