1-(carboxymethyl)-4-ethanethioyl-5-methyl-1,2,4-triazolidine-3-thiolate

Systemtic Name: 1-(carboxymethyl)-4-ethanethioyl-5-methyl-1,2,4-triazolidine-3-thiolate Openeye Name: 1-(carboxymethyl)-4-ethanethioyl-5-methyl-1,2,4-triazolidine-3-thiolate CAS Name: 1-(carboxymethyl)-5-methyl-4-(1-sulfanylideneethyl)-1,2,4-triazolidine-3-thiolate IUPAC Name: 1-(carboxymethyl)-4-ethanethioyl-5-methyl-1,2,4-triazolidine-3-thiolate Traditional Name: 1-(carboxymethyl)-5-methyl-4-thioacetyl-1,2,4-triazolidine-3-thiolate Formula: C7H12N3O2S2- MolecularWeight: 234.31908

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(NC(N1C(=S)C)[S-])CC(=O)O

Isomeric SMILES

CC1N(NC(N1C(=S)C)[S-])CC(=O)O

InChI

InChI=1S/C7H13N3O2S2/c1-4-9(3-6(11)12)8-7(14)10(4)5(2)13/h4,7-8,14H,3H2,1-2H3,(H,11,12)/p-1