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

Systemtic Name: 3-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Openeye Name: 3-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanoic acid IUPAC Name: 3-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Traditional Name: 3-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionic acid Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCCC(=O)O)C2=CC=NC=C2

Isomeric SMILES

CCCN1C(=NN=C1SCCC(=O)O)C2=CC=NC=C2

InChI

InChI=1S/C13H16N4O2S/c1-2-8-17-12(10-3-6-14-7-4-10)15-16-13(17)20-9-5-11(18)19/h3-4,6-7H,2,5,8-9H2,1H3,(H,18,19)