2-[[4-(2-Propen-1-yl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]acetic acid

CAS Registry Number®

18378-69-3
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CAS Name

2-[[4-(2-Propen-1-yl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]acetic acid

Molecular Formula

C12H12N4O2S

Molecular Mass

276.31

Cite this Page

2-[[4-(2-Propen-1-yl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]acetic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=18378-69-3 (retrieved 2024-09-08) (CAS RN: 18378-69-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H12N4O2S/c1-2-7-16-11(9-3-5-13-6-4-9)14-15-12(16)19-8-10(17)18/h2-6H,1,7-8H2,(H,17,18)

InChIKey

InChIKey=IPVGRTRXDCWQLV-UHFFFAOYSA-N

SMILES

C(C=C)N1C(=NN=C1SCC(O)=O)C=2C=CN=CC2

Canonical SMILES

O=C(O)CSC1=NN=C(C=2C=CN=CC2)N1CC=C

Other Names for this Substance

  • Acetic acid, 2-[[4-(2-propen-1-yl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-
  • Acetic acid, [[4-allyl-5-(4-pyridyl)-4H-1,2,4-triazol-3-yl]thio]-
  • 2-[[4-(2-Propen-1-yl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]acetic acid
  • (4-Allyl-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid