3-[[5-(methylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propane-1-sulfonic acid

Systemtic Name: 3-[[5-(methylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propane-1-sulfonic acid Openeye Name: 3-[[5-(methylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propane-1-sulfonic acid CAS Name: 3-[[5-[(methylthio)methyl]-1H-1,2,4-triazol-3-yl]thio]-1-propanesulfonic acid IUPAC Name: 3-[[5-(methylsulfanylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propane-1-sulfonic acid Traditional Name: 3-[[5-[(methylthio)methyl]-1H-1,2,4-triazol-3-yl]thio]propane-1-sulfonic acid Formula: C7H13N3O3S3 MolecularWeight: 283.39142

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=NC(=NN1)SCCCS(=O)(=O)O

Isomeric SMILES

CSCC1=NC(=NN1)SCCCS(=O)(=O)O

InChI

InChI=1S/C7H13N3O3S3/c1-14-5-6-8-7(10-9-6)15-3-2-4-16(11,12)13/h2-5H2,1H3,(H,8,9,10)(H,11,12,13)