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

Systemtic Name: (1-methyl-3-sulfanyl-1,2,4-triazolidin-4-yl)methanesulfonic acid Openeye Name: (1-methyl-3-sulfanyl-1,2,4-triazolidin-4-yl)methanesulfonic acid CAS Name: (3-mercapto-1-methyl-1,2,4-triazolidin-4-yl)methanesulfonic acid IUPAC Name: (1-methyl-3-sulfanyl-1,2,4-triazolidin-4-yl)methanesulfonic acid Traditional Name: (3-mercapto-1-methyl-1,2,4-triazolidin-4-yl)methanesulfonic acid Formula: C4H11N3O3S2 MolecularWeight: 213.27844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CN(C(N1)S)CS(=O)(=O)O

Isomeric SMILES

CN1CN(C(N1)S)CS(=O)(=O)O

InChI

InChI=1S/C4H11N3O3S2/c1-6-2-7(4(11)5-6)3-12(8,9)10/h4-5,11H,2-3H2,1H3,(H,8,9,10)