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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1N(NC(=S)N1C(C)C(=O)O)C

Isomeric SMILES

CC1N(NC(=S)N1C(C)C(=O)O)C

InChI

InChI=1S/C7H13N3O2S/c1-4(6(11)12)10-5(2)9(3)8-7(10)13/h4-5H,1-3H3,(H,8,13)(H,11,12)