3-[(5-acetamido-1H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid

Systemtic Name: 3-[(5-acetamido-1H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Openeye Name: 3-[(5-acetamido-1H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid CAS Name: 3-[(5-acetamido-1H-1,2,4-triazol-3-yl)thio]propanoic acid IUPAC Name: 3-[(5-acetamido-1H-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Traditional Name: 3-[(5-acetamido-1H-1,2,4-triazol-3-yl)thio]propionic acid Formula: C7H10N4O3S MolecularWeight: 230.2443

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=NN1)SCCC(=O)O

Isomeric SMILES

CC(=O)NC1=NC(=NN1)SCCC(=O)O

InChI

InChI=1S/C7H10N4O3S/c1-4(12)8-6-9-7(11-10-6)15-3-2-5(13)14/h2-3H2,1H3,(H,13,14)(H2,8,9,10,11,12)