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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C(C)C2=CC=NC=C2)SCC(=O)O

Isomeric SMILES

CCC1=NN=C(N1C(C)C2=CC=NC=C2)SCC(=O)O

InChI

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