1-Methyl-5-[(phenylmethyl)sulfonyl]-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile

CAS Registry Number®

318517-76-9
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CAS Name

1-Methyl-5-[(phenylmethyl)sulfonyl]-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile

Molecular Formula

C13H10F3N3O2S

Molecular Mass

329.30

Cite this Page

1-Methyl-5-[(phenylmethyl)sulfonyl]-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=318517-76-9 (retrieved 2024-08-26) (CAS RN: 318517-76-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H10F3N3O2S/c1-19-12(10(7-17)11(18-19)13(14,15)16)22(20,21)8-9-5-3-2-4-6-9/h2-6H,8H2,1H3

InChIKey

InChIKey=WTZUQRNFLXZBQB-UHFFFAOYSA-N

SMILES

C(#N)C1=C(S(CC2=CC=CC=C2)(=O)=O)N(C)N=C1C(F)(F)F

Canonical SMILES

N#CC=1C(=NN(C1S(=O)(=O)CC=2C=CC=CC2)C)C(F)(F)F

Other Names for this Substance

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