tert-butyl 3-thiophen-2-yl-5-(trifluoromethyl)pyrazole-1-carboxylate

Systemtic Name: tert-butyl 3-thiophen-2-yl-5-(trifluoromethyl)pyrazole-1-carboxylate Openeye Name: tert-butyl 3-(2-thienyl)-5-(trifluoromethyl)pyrazole-1-carboxylate CAS Name: 3-thiophen-2-yl-5-(trifluoromethyl)-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-thiophen-2-yl-5-(trifluoromethyl)pyrazole-1-carboxylate Traditional Name: 3-(2-thienyl)-5-(trifluoromethyl)pyrazole-1-carboxylic acid tert-butyl ester Formula: C13H13F3N2O2S MolecularWeight: 318.31473

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=CC(=N1)C2=CC=CS2)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=CC(=N1)C2=CC=CS2)C(F)(F)F

InChI

InChI=1S/C13H13F3N2O2S/c1-12(2,3)20-11(19)18-10(13(14,15)16)7-8(17-18)9-5-4-6-21-9/h4-7H,1-3H3