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

Systemtic Name: 3-[5-ethyl-1-(2-hydroxyethyl)-3-sulfanyl-1,2,4-triazolidin-4-yl]propanoic acid Openeye Name: 3-[5-ethyl-1-(2-hydroxyethyl)-3-sulfanyl-1,2,4-triazolidin-4-yl]propanoic acid CAS Name: 3-[5-ethyl-1-(2-hydroxyethyl)-3-mercapto-1,2,4-triazolidin-4-yl]propanoic acid IUPAC Name: 3-[5-ethyl-1-(2-hydroxyethyl)-3-sulfanyl-1,2,4-triazolidin-4-yl]propanoic acid Traditional Name: 3-[5-ethyl-1-(2-hydroxyethyl)-3-mercapto-1,2,4-triazolidin-4-yl]propionic acid Formula: C9H19N3O3S MolecularWeight: 249.33046

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Descriptors Computed from Structure

Canonical SMILES:

CCC1N(C(NN1CCO)S)CCC(=O)O

Isomeric SMILES

CCC1N(C(NN1CCO)S)CCC(=O)O

InChI

InChI=1S/C9H19N3O3S/c1-2-7-11(4-3-8(14)15)9(16)10-12(7)5-6-13/h7,9-10,13,16H,2-6H2,1H3,(H,14,15)