4-(carboxymethyl)-1-(2-hydroxyethyl)-5-propyl-1,2,4-triazolidine-3-thiolate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1N(NC(N1CC(=O)O)[S-])CCO

Isomeric SMILES

CCCC1N(NC(N1CC(=O)O)[S-])CCO

InChI

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