methyl 5-oxidanylidene-3-sulfanylidene-1,2-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylate

Systemtic Name: methyl 5-oxidanylidene-3-sulfanylidene-1,2-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylate Openeye Name: methyl 5-oxo-3-thioxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylate CAS Name: 5-oxo-3-sulfanylidene-1,2-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylic acid methyl ester IUPAC Name: methyl 5-oxo-3-sulfanylidene-1,2-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylate Traditional Name: 5-keto-3-thioxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylic acid methyl ester Formula: C7H6N4O3S MolecularWeight: 226.21254

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=O)N2C(=N1)NNC2=S

Isomeric SMILES

COC(=O)C1=CC(=O)N2C(=N1)NNC2=S

InChI

InChI=1S/C7H6N4O3S/c1-14-5(13)3-2-4(12)11-6(8-3)9-10-7(11)15/h2H,1H3,(H,8,9)(H,10,15)