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

Systemtic Name: 3-chloranyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate Openeye Name: 3-chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate CAS Name: 3-chloro-5-thiophen-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxylate IUPAC Name: 3-chloro-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate Traditional Name: 3-chloro-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate Formula: C12H4ClF3N3O2S- MolecularWeight: 346.69227

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)[O-])Cl

Isomeric SMILES

C1=CSC(=C1)C2=NC3=C(C(=NN3C(=C2)C(F)(F)F)C(=O)[O-])Cl

InChI

InChI=1S/C12H5ClF3N3O2S/c13-8-9(11(20)21)18-19-7(12(14,15)16)4-5(17-10(8)19)6-2-1-3-22-6/h1-4H,(H,20,21)/p-1