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

Systemtic Name: (4-methylphenyl) 4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate Openeye Name: p-tolyl 4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoate CAS Name: 4-[5-thiophen-2-yl-3-(trifluoromethyl)-1-pyrazolyl]benzoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 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-tolyl ester Formula: C22H15F3N2O2S MolecularWeight: 428.42691

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15F3N2O2S/c1-14-4-10-17(11-5-14)29-21(28)15-6-8-16(9-7-15)27-18(19-3-2-12-30-19)13-20(26-27)22(23,24)25/h2-13H,1H3