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

Systemtic Name: 3-[(4-azanyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Openeye Name: 3-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid CAS Name: 3-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)thio]propanoic acid IUPAC Name: 3-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Traditional Name: 3-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)thio]propionic acid Formula: C7H12N4O2S MolecularWeight: 216.26078

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1N)SCCC(=O)O

Isomeric SMILES

CCC1=NN=C(N1N)SCCC(=O)O

InChI

InChI=1S/C7H12N4O2S/c1-2-5-9-10-7(11(5)8)14-4-3-6(12)13/h2-4,8H2,1H3,(H,12,13)