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

Systemtic Name: sodium 3-(1H-1,2,4-triazol-5-ylsulfanyl)propane-1-sulfonate Openeye Name: sodium 3-(1H-1,2,4-triazol-5-ylsulfanyl)propane-1-sulfonate CAS Name: sodium 3-(1H-1,2,4-triazol-5-ylthio)-1-propanesulfonate IUPAC Name: sodium 3-(1H-1,2,4-triazol-5-ylsulfanyl)propane-1-sulfonate Traditional Name: sodium 3-(1H-1,2,4-triazol-5-ylthio)propane-1-sulfonate Formula: C5H8N3NaO3S2 MolecularWeight: 245.25509

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Descriptors Computed from Structure

Canonical SMILES:

C1=NNC(=N1)SCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=NNC(=N1)SCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C5H9N3O3S2.Na/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);/q;+1/p-1