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

Systemtic Name: 3-(2,4-dimethyl-5-sulfanyl-1,2,4-triazolidin-3-yl)propanoic acid Openeye Name: 3-(2,4-dimethyl-5-sulfanyl-1,2,4-triazolidin-3-yl)propanoic acid CAS Name: 3-(5-mercapto-2,4-dimethyl-1,2,4-triazolidin-3-yl)propanoic acid IUPAC Name: 3-(2,4-dimethyl-5-sulfanyl-1,2,4-triazolidin-3-yl)propanoic acid Traditional Name: 3-(5-mercapto-2,4-dimethyl-1,2,4-triazolidin-3-yl)propionic acid Formula: C7H15N3O2S MolecularWeight: 205.2779

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(N(NC1S)C)CCC(=O)O

Isomeric SMILES

CN1C(N(NC1S)C)CCC(=O)O

InChI

InChI=1S/C7H15N3O2S/c1-9-5(3-4-6(11)12)10(2)8-7(9)13/h5,7-8,13H,3-4H2,1-2H3,(H,11,12)