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

Systemtic Name: methyl 3-bromanyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate Openeye Name: methyl 3-bromo-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate CAS Name: 3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 3-bromo-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate Traditional Name: 3-bromo-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid methyl ester Formula: C13H7BrF3N3O2S MolecularWeight: 406.17779

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN2C(=CC(=NC2=C1Br)C3=CC=CS3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=NN2C(=CC(=NC2=C1Br)C3=CC=CS3)C(F)(F)F

InChI

InChI=1S/C13H7BrF3N3O2S/c1-22-12(21)10-9(14)11-18-6(7-3-2-4-23-7)5-8(13(15,16)17)20(11)19-10/h2-5H,1H3