2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanylmethyl]propanedioic acid

Systemtic Name: 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanylmethyl]propanedioic acid Openeye Name: 2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)sulfanylmethyl]propanedioic acid CAS Name: 2-[[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]methyl]propanedioic acid IUPAC Name: 2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanylmethyl]propanedioic acid Traditional Name: 2-[[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)thio]methyl]malonic acid Formula: C6H6N2O4S3 MolecularWeight: 266.31784

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(=O)O)C(=O)O)SC1=NNC(=S)S1

Isomeric SMILES

C(C(C(=O)O)C(=O)O)SC1=NNC(=S)S1

InChI

InChI=1S/C6H6N2O4S3/c9-3(10)2(4(11)12)1-14-6-8-7-5(13)15-6/h2H,1H2,(H,7,13)(H,9,10)(H,11,12)