4-(2-carboxyethyl)-5-ethyl-1-(2-hydroxyethyl)-1,2,4-triazolidine-3-thiolate

Systemtic Name: 4-(2-carboxyethyl)-5-ethyl-1-(2-hydroxyethyl)-1,2,4-triazolidine-3-thiolate Openeye Name: 4-(2-carboxyethyl)-5-ethyl-1-(2-hydroxyethyl)-1,2,4-triazolidine-3-thiolate CAS Name: 4-(2-carboxyethyl)-5-ethyl-1-(2-hydroxyethyl)-1,2,4-triazolidine-3-thiolate IUPAC Name: 4-(2-carboxyethyl)-5-ethyl-1-(2-hydroxyethyl)-1,2,4-triazolidine-3-thiolate Traditional Name: 4-(2-carboxyethyl)-5-ethyl-1-(2-hydroxyethyl)-1,2,4-triazolidine-3-thiolate Formula: C9H18N3O3S- MolecularWeight: 248.32252

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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)/p-1