4-(2-carboxyethyl)-1-methyl-1,2,4-triazolidine-3-thiolate

Systemtic Name: 4-(2-carboxyethyl)-1-methyl-1,2,4-triazolidine-3-thiolate Openeye Name: 4-(2-carboxyethyl)-1-methyl-1,2,4-triazolidine-3-thiolate CAS Name: 4-(2-carboxyethyl)-1-methyl-1,2,4-triazolidine-3-thiolate IUPAC Name: 4-(2-carboxyethyl)-1-methyl-1,2,4-triazolidine-3-thiolate Traditional Name: 4-(2-carboxyethyl)-1-methyl-1,2,4-triazolidine-3-thiolate Formula: C6H12N3O2S- MolecularWeight: 190.24338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CN(C(N1)[S-])CCC(=O)O

Isomeric SMILES

CN1CN(C(N1)[S-])CCC(=O)O

InChI

InChI=1S/C6H13N3O2S/c1-8-4-9(6(12)7-8)3-2-5(10)11/h6-7,12H,2-4H2,1H3,(H,10,11)/p-1