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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)O)C2=CC=NC=C2

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)O)C2=CC=NC=C2

InChI

InChI=1S/C13H16N4O2S/c1-2-3-8-17-12(10-4-6-14-7-5-10)15-16-13(17)20-9-11(18)19/h4-7H,2-3,8-9H2,1H3,(H,18,19)