3-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid

Systemtic Name: 3-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Openeye Name: 3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]propanoic acid CAS Name: 3-[(4-amino-1,2,4-triazol-3-yl)thio]propanoic acid IUPAC Name: 3-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Traditional Name: 3-[(4-amino-1,2,4-triazol-3-yl)thio]propionic acid Formula: C5H8N4O2S MolecularWeight: 188.20762

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Descriptors Computed from Structure

Canonical SMILES:

C1=NN=C(N1N)SCCC(=O)O

Isomeric SMILES

C1=NN=C(N1N)SCCC(=O)O

InChI

InChI=1S/C5H8N4O2S/c6-9-3-7-8-5(9)12-2-1-4(10)11/h3H,1-2,6H2,(H,10,11)