1-methyl-5-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxylic acid

Systemtic Name: 1-methyl-5-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxylic acid Openeye Name: 1-methyl-5-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxylic acid CAS Name: 1-methyl-5-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-3-pyrazolecarboxylic acid IUPAC Name: 1-methyl-5-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxylic acid Traditional Name: 1-methyl-5-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)pyrazole-3-carboxylic acid Formula: C8H9N5O2S MolecularWeight: 239.25436

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C(=O)O)C2=NNC(=S)N2C

Isomeric SMILES

CN1C(=CC(=N1)C(=O)O)C2=NNC(=S)N2C

InChI

InChI=1S/C8H9N5O2S/c1-12-6(9-10-8(12)16)5-3-4(7(14)15)11-13(5)2/h3H,1-2H3,(H,10,16)(H,14,15)