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

Systemtic Name: 3-[[5-(2-ethylsulfanylethylsulfanyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propane-1-sulfonic acid Openeye Name: 3-[[5-(2-ethylsulfanylethylsulfanyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propane-1-sulfonic acid CAS Name: 3-[[5-[2-(ethylthio)ethylthio]-1H-1,2,4-triazol-3-yl]thio]-1-propanesulfonic acid IUPAC Name: 3-[[5-(2-ethylsulfanylethylsulfanyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propane-1-sulfonic acid Traditional Name: 3-[[5-[2-(ethylthio)ethylthio]-1H-1,2,4-triazol-3-yl]thio]propane-1-sulfonic acid Formula: C9H17N3O3S4 MolecularWeight: 343.50958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSCCSC1=NC(=NN1)SCCCS(=O)(=O)O

Isomeric SMILES

CCSCCSC1=NC(=NN1)SCCCS(=O)(=O)O

InChI

InChI=1S/C9H17N3O3S4/c1-2-16-5-6-18-9-10-8(11-12-9)17-4-3-7-19(13,14)15/h2-7H2,1H3,(H,10,11,12)(H,13,14,15)