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

Systemtic Name: 2-[[5-ethyl-4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-ethyl-4-(2-pyridylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-ethyl-4-(2-pyridinylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-ethyl-4-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-ethyl-4-(2-pyridylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC2=CC=CC=N2)SCC(=O)O

Isomeric SMILES

CCC1=NN=C(N1CC2=CC=CC=N2)SCC(=O)O

InChI

InChI=1S/C12H14N4O2S/c1-2-10-14-15-12(19-8-11(17)18)16(10)7-9-5-3-4-6-13-9/h3-6H,2,7-8H2,1H3,(H,17,18)