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

Systemtic Name: 3-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Openeye Name: 3-[[4-ethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[4-ethyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Traditional Name: 3-[[4-ethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propionic acid Formula: C12H14N4O2S MolecularWeight: 278.33016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCC(=O)O)C2=CN=CC=C2

Isomeric SMILES

CCN1C(=NN=C1SCCC(=O)O)C2=CN=CC=C2

InChI

InChI=1S/C12H14N4O2S/c1-2-16-11(9-4-3-6-13-8-9)14-15-12(16)19-7-5-10(17)18/h3-4,6,8H,2,5,7H2,1H3,(H,17,18)