(αS,βR)-β-(2,5-Difluorophenyl)-β-hydroxy-α-methyl-1H-1,2,4-triazole-1-butanenitrile

CAS Registry Number®

241479-74-3
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CAS Name

(αS,βR)-β-(2,5-Difluorophenyl)-β-hydroxy-α-methyl-1H-1,2,4-triazole-1-butanenitrile

Molecular Formula

C13H12F2N4O

Molecular Mass

278.26

Cite this Page

(αS,βR)-β-(2,5-Difluorophenyl)-β-hydroxy-α-methyl-1H-1,2,4-triazole-1-butanenitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=241479-74-3 (retrieved 2024-06-26) (CAS RN: 241479-74-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H12F2N4O/c1-9(5-16)13(20,6-19-8-17-7-18-19)11-4-10(14)2-3-12(11)15/h2-4,7-9,20H,6H2,1H3/t9-,13+/m0/s1

InChIKey

InChIKey=SYSUFNUKZJVPBI-TVQRCGJNSA-N

SMILES

[C@](CN1C=NC=N1)([C@H](C#N)C)(O)C2=C(F)C=CC(F)=C2

Canonical SMILES

N#CC(C)C(O)(C1=CC(F)=CC=C1F)CN2N=CN=C2

Other Names for this Substance

  • 1H-1,2,4-Triazole-1-butanenitrile, β-(2,5-difluorophenyl)-β-hydroxy-α-methyl-, (αS,βR)-
  • (αS,βR)-β-(2,5-Difluorophenyl)-β-hydroxy-α-methyl-1H-1,2,4-triazole-1-butanenitrile