methyl 7-sulfanylidene-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate

Systemtic Name: methyl 7-sulfanylidene-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate Openeye Name: methyl 7-thioxo-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate CAS Name: 7-sulfanylidene-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid methyl ester IUPAC Name: methyl 7-sulfanylidene-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate Traditional Name: 7-thioxo-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid methyl ester Formula: C8H5F3N4O2S MolecularWeight: 278.21111

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC2=NC(=CC(=S)N2N1)C(F)(F)F

Isomeric SMILES

COC(=O)C1=NC2=NC(=CC(=S)N2N1)C(F)(F)F

InChI

InChI=1S/C8H5F3N4O2S/c1-17-6(16)5-13-7-12-3(8(9,10)11)2-4(18)15(7)14-5/h2H,1H3,(H,12,13,14)