ethyl 5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate

Systemtic Name: ethyl 5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: ethyl 5-(5-ethyl-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 5-(5-ethyl-2-thiophenyl)-7-(trifluoromethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 5-(5-ethyl-2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C16H14F3N3O2S MolecularWeight: 369.36147

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(S1)C2=NC3=C(C=NN3C(=C2)C(F)(F)F)C(=O)OCC

InChI

InChI=1S/C16H14F3N3O2S/c1-3-9-5-6-12(25-9)11-7-13(16(17,18)19)22-14(21-11)10(8-20-22)15(23)24-4-2/h5-8H,3-4H2,1-2H3