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

Systemtic Name: (1,5-dimethyl-3-sulfanyl-1,2,4-triazolidin-4-yl)methanesulfonic acid Openeye Name: (1,5-dimethyl-3-sulfanyl-1,2,4-triazolidin-4-yl)methanesulfonic acid CAS Name: (3-mercapto-1,5-dimethyl-1,2,4-triazolidin-4-yl)methanesulfonic acid IUPAC Name: (1,5-dimethyl-3-sulfanyl-1,2,4-triazolidin-4-yl)methanesulfonic acid Traditional Name: (3-mercapto-1,5-dimethyl-1,2,4-triazolidin-4-yl)methanesulfonic acid Formula: C5H13N3O3S2 MolecularWeight: 227.30502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1N(NC(N1CS(=O)(=O)O)S)C

Isomeric SMILES

CC1N(NC(N1CS(=O)(=O)O)S)C

InChI

InChI=1S/C5H13N3O3S2/c1-4-7(2)6-5(12)8(4)3-13(9,10)11/h4-6,12H,3H2,1-2H3,(H,9,10,11)