3-(1,5-dimethyl-3-sulfanylidene-1,2,4-triazolidin-4-yl)propanoic acid

Systemtic Name: 3-(1,5-dimethyl-3-sulfanylidene-1,2,4-triazolidin-4-yl)propanoic acid Openeye Name: 3-(1,5-dimethyl-3-thioxo-1,2,4-triazolidin-4-yl)propanoic acid CAS Name: 3-(1,5-dimethyl-3-sulfanylidene-1,2,4-triazolidin-4-yl)propanoic acid IUPAC Name: 3-(1,5-dimethyl-3-sulfanylidene-1,2,4-triazolidin-4-yl)propanoic acid Traditional Name: 3-(1,5-dimethyl-3-thioxo-1,2,4-triazolidin-4-yl)propionic acid Formula: C7H13N3O2S MolecularWeight: 203.26202

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(NC(=S)N1CCC(=O)O)C

Isomeric SMILES

CC1N(NC(=S)N1CCC(=O)O)C

InChI

InChI=1S/C7H13N3O2S/c1-5-9(2)8-7(13)10(5)4-3-6(11)12/h5H,3-4H2,1-2H3,(H,8,13)(H,11,12)