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

Systemtic Name: phenyl 4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate Openeye Name: phenyl 4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoate CAS Name: 4-[5-thiophen-2-yl-3-(trifluoromethyl)-1-pyrazolyl]benzoic acid phenyl ester IUPAC Name: phenyl 4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzoate Traditional Name: 4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid phenyl ester Formula: C21H13F3N2O2S MolecularWeight: 414.40033

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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/C21H13F3N2O2S/c22-21(23,24)19-13-17(18-7-4-12-29-18)26(25-19)15-10-8-14(9-11-15)20(27)28-16-5-2-1-3-6-16/h1-13H