[1-(2-hydroxyethyl)-3-sulfanyl-1,2,4-triazolidin-4-yl]methanesulfonic acid

Systemtic Name: [1-(2-hydroxyethyl)-3-sulfanyl-1,2,4-triazolidin-4-yl]methanesulfonic acid Openeye Name: [1-(2-hydroxyethyl)-3-sulfanyl-1,2,4-triazolidin-4-yl]methanesulfonic acid CAS Name: [1-(2-hydroxyethyl)-3-mercapto-1,2,4-triazolidin-4-yl]methanesulfonic acid IUPAC Name: [1-(2-hydroxyethyl)-3-sulfanyl-1,2,4-triazolidin-4-yl]methanesulfonic acid Traditional Name: [1-(2-hydroxyethyl)-3-mercapto-1,2,4-triazolidin-4-yl]methanesulfonic acid Formula: C5H13N3O4S2 MolecularWeight: 243.30442

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Descriptors Computed from Structure

Canonical SMILES:

C1N(NC(N1CS(=O)(=O)O)S)CCO

Isomeric SMILES

C1N(NC(N1CS(=O)(=O)O)S)CCO

InChI

InChI=1S/C5H13N3O4S2/c9-2-1-8-3-7(5(13)6-8)4-14(10,11)12/h5-6,9,13H,1-4H2,(H,10,11,12)