3-(3-methylsulfanyloxy-1,2,4-triazol-4-yl)propane-1-sulfonic acid

Systemtic Name: 3-(3-methylsulfanyloxy-1,2,4-triazol-4-yl)propane-1-sulfonic acid Openeye Name: 3-(3-methylsulfanyloxy-1,2,4-triazol-4-yl)propane-1-sulfonic acid CAS Name: 3-[3-(methylthio)oxy-1,2,4-triazol-4-yl]-1-propanesulfonic acid IUPAC Name: 3-(3-methylsulfanyloxy-1,2,4-triazol-4-yl)propane-1-sulfonic acid Traditional Name: 3-[3-(methylthio)oxy-1,2,4-triazol-4-yl]propane-1-sulfonic acid Formula: C6H11N3O4S2 MolecularWeight: 253.29924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSOC1=NN=CN1CCCS(=O)(=O)O

Isomeric SMILES

CSOC1=NN=CN1CCCS(=O)(=O)O

InChI

InChI=1S/C6H11N3O4S2/c1-14-13-6-8-7-5-9(6)3-2-4-15(10,11)12/h5H,2-4H2,1H3,(H,10,11,12)