3-(ethanoylsulfanylmethyl)-5-sulfanylidene-1H-1,2,4-triazole-4-carboxylic acid

Systemtic Name: 3-(ethanoylsulfanylmethyl)-5-sulfanylidene-1H-1,2,4-triazole-4-carboxylic acid Openeye Name: 3-(acetylsulfanylmethyl)-5-thioxo-1H-1,2,4-triazole-4-carboxylic acid CAS Name: 3-[(acetylthio)methyl]-5-sulfanylidene-1H-1,2,4-triazole-4-carboxylic acid IUPAC Name: 3-(acetylsulfanylmethyl)-5-sulfanylidene-1H-1,2,4-triazole-4-carboxylic acid Traditional Name: 3-[(acetylthio)methyl]-5-thioxo-1H-1,2,4-triazole-4-carboxylic acid Formula: C6H7N3O3S2 MolecularWeight: 233.26808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=NNC(=S)N1C(=O)O

Isomeric SMILES

CC(=O)SCC1=NNC(=S)N1C(=O)O

InChI

InChI=1S/C6H7N3O3S2/c1-3(10)14-2-4-7-8-5(13)9(4)6(11)12/h2H2,1H3,(H,8,13)(H,11,12)