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

Systemtic Name: 3-(1H-1,2,4-triazol-5-yl)propane-1-sulfonate Openeye Name: 3-(1H-1,2,4-triazol-5-yl)propane-1-sulfonate CAS Name: 3-(1H-1,2,4-triazol-5-yl)-1-propanesulfonate IUPAC Name: 3-(1H-1,2,4-triazol-5-yl)propane-1-sulfonate Traditional Name: 3-(1H-1,2,4-triazol-5-yl)propane-1-sulfonate Formula: C5H8N3O3S- MolecularWeight: 190.20032

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Descriptors Computed from Structure

Canonical SMILES:

C1=NNC(=N1)CCCS(=O)(=O)[O-]

Isomeric SMILES

C1=NNC(=N1)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C5H9N3O3S/c9-12(10,11)3-1-2-5-6-4-7-8-5/h4H,1-3H2,(H,6,7,8)(H,9,10,11)/p-1