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

Systemtic Name: 3-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Openeye Name: 3-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]propanoic acid IUPAC Name: 3-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid Traditional Name: 3-[[4-(2-methoxyethyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionic acid Formula: C13H16N4O3S MolecularWeight: 308.35614

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCCC(=O)O)C2=CC=NC=C2

Isomeric SMILES

COCCN1C(=NN=C1SCCC(=O)O)C2=CC=NC=C2

InChI

InChI=1S/C13H16N4O3S/c1-20-8-7-17-12(10-2-5-14-6-3-10)15-16-13(17)21-9-4-11(18)19/h2-3,5-6H,4,7-9H2,1H3,(H,18,19)