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

Systemtic Name: 3-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Openeye Name: 3-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid CAS Name: 3-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]propanoic acid IUPAC Name: 3-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Traditional Name: 3-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]propionic acid Formula: C9H16N4O2S MolecularWeight: 244.31394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1N)SCCC(=O)O

Isomeric SMILES

CCCCC1=NN=C(N1N)SCCC(=O)O

InChI

InChI=1S/C9H16N4O2S/c1-2-3-4-7-11-12-9(13(7)10)16-6-5-8(14)15/h2-6,10H2,1H3,(H,14,15)