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

Systemtic Name: 3-(1H-1,2,4-triazol-5-ylsulfanyl)propane-1-sulfonate Openeye Name: 3-(1H-1,2,4-triazol-5-ylsulfanyl)propane-1-sulfonate CAS Name: 3-(1H-1,2,4-triazol-5-ylthio)-1-propanesulfonate IUPAC Name: 3-(1H-1,2,4-triazol-5-ylsulfanyl)propane-1-sulfonate Traditional Name: 3-(1H-1,2,4-triazol-5-ylthio)propane-1-sulfonate Formula: C5H8N3O3S2- MolecularWeight: 222.26532

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)/p-1