2-(1,5-dimethyl-3-sulfanyl-1,2,4-triazolidin-4-yl)ethanoic acid

Systemtic Name: 2-(1,5-dimethyl-3-sulfanyl-1,2,4-triazolidin-4-yl)ethanoic acid Openeye Name: 2-(1,5-dimethyl-3-sulfanyl-1,2,4-triazolidin-4-yl)acetic acid CAS Name: 2-(3-mercapto-1,5-dimethyl-1,2,4-triazolidin-4-yl)acetic acid IUPAC Name: 2-(1,5-dimethyl-3-sulfanyl-1,2,4-triazolidin-4-yl)acetic acid Traditional Name: 2-(3-mercapto-1,5-dimethyl-1,2,4-triazolidin-4-yl)acetic acid Formula: C6H13N3O2S MolecularWeight: 191.25132

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(NC(N1CC(=O)O)S)C

Isomeric SMILES

CC1N(NC(N1CC(=O)O)S)C

InChI

InChI=1S/C6H13N3O2S/c1-4-8(2)7-6(12)9(4)3-5(10)11/h4,6-7,12H,3H2,1-2H3,(H,10,11)