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

Systemtic Name: 2-[1-(2-hydroxyethyl)-5-methyl-3-sulfanyl-1,2,4-triazolidin-4-yl]ethanoic acid Openeye Name: 2-[1-(2-hydroxyethyl)-5-methyl-3-sulfanyl-1,2,4-triazolidin-4-yl]acetic acid CAS Name: 2-[1-(2-hydroxyethyl)-3-mercapto-5-methyl-1,2,4-triazolidin-4-yl]acetic acid IUPAC Name: 2-[1-(2-hydroxyethyl)-5-methyl-3-sulfanyl-1,2,4-triazolidin-4-yl]acetic acid Traditional Name: 2-[1-(2-hydroxyethyl)-3-mercapto-5-methyl-1,2,4-triazolidin-4-yl]acetic acid Formula: C7H15N3O3S MolecularWeight: 221.2773

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H15N3O3S/c1-5-9(4-6(12)13)7(14)8-10(5)2-3-11/h5,7-8,11,14H,2-4H2,1H3,(H,12,13)