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

Systemtic Name: pyridin-3-yl 4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate Openeye Name: 3-pyridyl 4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoate CAS Name: 4-[5-thiophen-2-yl-3-(trifluoromethyl)-1-pyrazolyl]benzoic acid 3-pyridinyl ester IUPAC Name: pyridin-3-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 3-pyridyl ester Formula: C20H12F3N3O2S MolecularWeight: 415.38839

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H12F3N3O2S/c21-20(22,23)18-11-16(17-4-2-10-29-17)26(25-18)14-7-5-13(6-8-14)19(27)28-15-3-1-9-24-12-15/h1-12H