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

Systemtic Name: 3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Openeye Name: 3-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propanoic acid CAS Name: 3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]propanoic acid IUPAC Name: 3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propanoic acid Traditional Name: 3-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]propionic acid Formula: C11H12N4O2S MolecularWeight: 264.30358

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC(=O)O)C2=CC=NC=C2

Isomeric SMILES

CN1C(=NN=C1SCCC(=O)O)C2=CC=NC=C2

InChI

InChI=1S/C11H12N4O2S/c1-15-10(8-2-5-12-6-3-8)13-14-11(15)18-7-4-9(16)17/h2-3,5-6H,4,7H2,1H3,(H,16,17)