Methyl 1-[[[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1H-pyrazole-3-carboxylate

CAS Registry Number®

956392-54-4
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CAS Name

Methyl 1-[[[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1H-pyrazole-3-carboxylate

Molecular Formula

C9H9F3N6O2S

Molecular Mass

322.27

Cite this Page

Methyl 1-[[[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1H-pyrazole-3-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=956392-54-4 (retrieved 2024-09-09) (CAS RN: 956392-54-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C9H9F3N6O2S/c1-20-6(19)5-2-3-17(16-5)4-21-8-15-14-7(18(8)13)9(10,11)12/h2-3H,4,13H2,1H3

InChIKey

InChIKey=XLGAUXYTSPJOCL-UHFFFAOYSA-N

SMILES

S(CN1N=C(C(OC)=O)C=C1)C=2N(N)C(C(F)(F)F)=NN2

Canonical SMILES

O=C(OC)C1=NN(C=C1)CSC2=NN=C(N2N)C(F)(F)F

Other Names for this Substance

  • 1H-Pyrazole-3-carboxylic acid, 1-[[[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-, methyl ester
  • Methyl 1-[[[4-amino-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]thio]methyl]-1H-pyrazole-3-carboxylate