3-(1,5-dimethyl-3-sulfanyl-1,2,4-triazolidin-4-yl)propanoic acid

Systemtic Name: 3-(1,5-dimethyl-3-sulfanyl-1,2,4-triazolidin-4-yl)propanoic acid Openeye Name: 3-(1,5-dimethyl-3-sulfanyl-1,2,4-triazolidin-4-yl)propanoic acid CAS Name: 3-(3-mercapto-1,5-dimethyl-1,2,4-triazolidin-4-yl)propanoic acid IUPAC Name: 3-(1,5-dimethyl-3-sulfanyl-1,2,4-triazolidin-4-yl)propanoic acid Traditional Name: 3-(3-mercapto-1,5-dimethyl-1,2,4-triazolidin-4-yl)propionic acid Formula: C7H15N3O2S MolecularWeight: 205.2779

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(NC(N1CCC(=O)O)S)C

Isomeric SMILES

CC1N(NC(N1CCC(=O)O)S)C

InChI

InChI=1S/C7H15N3O2S/c1-5-9(2)8-7(13)10(5)4-3-6(11)12/h5,7-8,13H,3-4H2,1-2H3,(H,11,12)