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

Systemtic Name: 3-[(4-azanyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Openeye Name: 3-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid CAS Name: 3-[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]propanoic acid IUPAC Name: 3-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Traditional Name: 3-[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]propionic acid Formula: C8H14N4O2S MolecularWeight: 230.28736

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1N)SCCC(=O)O

Isomeric SMILES

CCCC1=NN=C(N1N)SCCC(=O)O

InChI

InChI=1S/C8H14N4O2S/c1-2-3-6-10-11-8(12(6)9)15-5-4-7(13)14/h2-5,9H2,1H3,(H,13,14)