1-Methyl-3-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]thio]-1H-pyrazole-4-carbonitrile

CAS Registry Number®

318517-74-7

CAS Name

1-Methyl-3-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]thio]-1H-pyrazole-4-carbonitrile

Molecular Formula

C13H7F6N3S

Molecular Mass

351.27

Cite this Page

1-Methyl-3-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]thio]-1H-pyrazole-4-carbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=318517-74-7 (retrieved 2024-10-07) (CAS RN: 318517-74-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H7F6N3S/c1-22-11(9(6-20)10(21-22)13(17,18)19)23-8-4-2-3-7(5-8)12(14,15)16/h2-5H,1H3

InChIKey

InChIKey=YOMBDMSDYSDUNS-UHFFFAOYSA-N

SMILES

S(C1=C(C#N)C(C(F)(F)F)=NN1C)C2=CC(C(F)(F)F)=CC=C2

Canonical SMILES

N#CC1=C(SC2=CC=CC(=C2)C(F)(F)F)N(N=C1C(F)(F)F)C

Other Names for this Substance

  • 1H-Pyrazole-4-carbonitrile, 1-methyl-3-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]thio]-
  • 1-Methyl-3-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]thio]-1H-pyrazole-4-carbonitrile

CAS INSIGHTSTM
© Nobel Prize Outreach. Photo: Hugh Fox