(3,5-dimethylphenyl) 4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate

Systemtic Name: (3,5-dimethylphenyl) 4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate Openeye Name: (3,5-dimethylphenyl) 4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoate CAS Name: 4-[5-thiophen-2-yl-3-(trifluoromethyl)-1-pyrazolyl]benzoic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate Traditional Name: 4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid (3,5-dimethylphenyl) ester Formula: C23H17F3N2O2S MolecularWeight: 442.45349

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H17F3N2O2S/c1-14-10-15(2)12-18(11-14)30-22(29)16-5-7-17(8-6-16)28-19(20-4-3-9-31-20)13-21(27-28)23(24,25)26/h3-13H,1-2H3