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

Systemtic Name: 2-(1,5-dimethyl-3-sulfanyl-1,2,4-triazolidin-4-yl)ethanesulfonic acid Openeye Name: 2-(1,5-dimethyl-3-sulfanyl-1,2,4-triazolidin-4-yl)ethanesulfonic acid CAS Name: 2-(3-mercapto-1,5-dimethyl-1,2,4-triazolidin-4-yl)ethanesulfonic acid IUPAC Name: 2-(1,5-dimethyl-3-sulfanyl-1,2,4-triazolidin-4-yl)ethanesulfonic acid Traditional Name: 2-(3-mercapto-1,5-dimethyl-1,2,4-triazolidin-4-yl)ethanesulfonic acid Formula: C6H15N3O3S2 MolecularWeight: 241.3316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1N(NC(N1CCS(=O)(=O)O)S)C

Isomeric SMILES

CC1N(NC(N1CCS(=O)(=O)O)S)C

InChI

InChI=1S/C6H15N3O3S2/c1-5-8(2)7-6(13)9(5)3-4-14(10,11)12/h5-7,13H,3-4H2,1-2H3,(H,10,11,12)