(5S,7R)-3-bromanyl-5-thiophen-2-yl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate

Systemtic Name: (5S,7R)-3-bromanyl-5-thiophen-2-yl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate Openeye Name: (5S,7R)-3-bromo-5-(2-thienyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate CAS Name: (5S,7R)-3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate IUPAC Name: (5S,7R)-3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate Traditional Name: (5S,7R)-3-bromo-5-(2-thienyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate Formula: C12H8BrF3N3O2S- MolecularWeight: 395.17503

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N=C2C(=C(NN2C1C(F)(F)F)C(=O)[O-])Br)C3=CC=CS3

Isomeric SMILES

C1[C@H](N=C2C(=C(NN2[C@H]1C(F)(F)F)C(=O)[O-])Br)C3=CC=CS3

InChI

InChI=1S/C12H9BrF3N3O2S/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/h1-3,5,7,18H,4H2,(H,20,21)/p-1/t5-,7+/m0/s1