3-(1H-1,2,4-triazol-5-ylsulfanyl)propane-1-sulfonic acid

Systemtic Name: 3-(1H-1,2,4-triazol-5-ylsulfanyl)propane-1-sulfonic acid Openeye Name: 3-(1H-1,2,4-triazol-5-ylsulfanyl)propane-1-sulfonic acid CAS Name: 3-(1H-1,2,4-triazol-5-ylthio)-1-propanesulfonic acid IUPAC Name: 3-(1H-1,2,4-triazol-5-ylsulfanyl)propane-1-sulfonic acid Traditional Name: 3-(1H-1,2,4-triazol-5-ylthio)propane-1-sulfonic acid Formula: C5H9N3O3S2 MolecularWeight: 223.27326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NNC(=N1)SCCCS(=O)(=O)O

Isomeric SMILES

C1=NNC(=N1)SCCCS(=O)(=O)O

InChI

InChI=1S/C5H9N3O3S2/c9-13(10,11)3-1-2-12-5-6-4-7-8-5/h4H,1-3H2,(H,6,7,8)(H,9,10,11)