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sodium 2-(1,5-dimethyl-3-sulfanyl-1,2,4-triazolidin-4-yl)ethanesulfonate

sodium 2-(1,5-dimethyl-3-sulfanyl-1,2,4-triazolidin-4-yl)ethanesulfonate

Systemtic Name:sodium 2-(1,5-dimethyl-3-sulfanyl-1,2,4-triazolidin-4-yl)ethanesulfonate
Openeye Name:sodium 2-(1,5-dimethyl-3-sulfanyl-1,2,4-triazolidin-4-yl)ethanesulfonate
CAS Name:sodium 2-(3-mercapto-1,5-dimethyl-1,2,4-triazolidin-4-yl)ethanesulfonate
IUPAC Name:sodium 2-(1,5-dimethyl-3-sulfanyl-1,2,4-triazolidin-4-yl)ethanesulfonate
Traditional Name:sodium 2-(3-mercapto-1,5-dimethyl-1,2,4-triazolidin-4-yl)ethanesulfonate
Formula: C6H14N3NaO3S2
MolecularWeight: 263.31343
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Descriptors Computed from Structure

Canonical SMILES:

CC1N(NC(N1CCS(=O)(=O)[O-])S)C.[Na+]


Isomeric SMILES

CC1N(NC(N1CCS(=O)(=O)[O-])S)C.[Na+]


InChI

InChI=1S/C6H15N3O3S2.Na/c1-5-8(2)7-6(13)9(5)3-4-14(10,11)12;/h5-7,13H,3-4H2,1-2H3,(H,10,11,12);/q;+1/p-1


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