[1-(methoxymethyl)-5-methyl-3-sulfanyl-1,2,4-triazolidin-4-yl]methanesulfonic acid

Systemtic Name: [1-(methoxymethyl)-5-methyl-3-sulfanyl-1,2,4-triazolidin-4-yl]methanesulfonic acid Openeye Name: [1-(methoxymethyl)-5-methyl-3-sulfanyl-1,2,4-triazolidin-4-yl]methanesulfonic acid CAS Name: [3-mercapto-1-(methoxymethyl)-5-methyl-1,2,4-triazolidin-4-yl]methanesulfonic acid IUPAC Name: [1-(methoxymethyl)-5-methyl-3-sulfanyl-1,2,4-triazolidin-4-yl]methanesulfonic acid Traditional Name: [3-mercapto-1-(methoxymethyl)-5-methyl-1,2,4-triazolidin-4-yl]methanesulfonic acid Formula: C6H15N3O4S2 MolecularWeight: 257.331

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(NC(N1CS(=O)(=O)O)S)COC

Isomeric SMILES

CC1N(NC(N1CS(=O)(=O)O)S)COC

InChI

InChI=1S/C6H15N3O4S2/c1-5-8(4-15(10,11)12)6(14)7-9(5)3-13-2/h5-7,14H,3-4H2,1-2H3,(H,10,11,12)