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

Systemtic Name: 4-(carboxymethyl)-1-(2-hydroxyethyl)-5-(2-oxidanylidenepropyl)-1,2,4-triazolidine-3-thiolate Openeye Name: 5-acetonyl-4-(carboxymethyl)-1-(2-hydroxyethyl)-1,2,4-triazolidine-3-thiolate CAS Name: 4-(carboxymethyl)-1-(2-hydroxyethyl)-5-(2-oxopropyl)-1,2,4-triazolidine-3-thiolate IUPAC Name: 4-(carboxymethyl)-1-(2-hydroxyethyl)-5-(2-oxopropyl)-1,2,4-triazolidine-3-thiolate Traditional Name: 5-acetonyl-4-(carboxymethyl)-1-(2-hydroxyethyl)-1,2,4-triazolidine-3-thiolate Formula: C9H16N3O4S- MolecularWeight: 262.30604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1N(NC(N1CC(=O)O)[S-])CCO

Isomeric SMILES

CC(=O)CC1N(NC(N1CC(=O)O)[S-])CCO

InChI

InChI=1S/C9H17N3O4S/c1-6(14)4-7-11(5-8(15)16)9(17)10-12(7)2-3-13/h7,9-10,13,17H,2-5H2,1H3,(H,15,16)/p-1