Methyl N-cyano-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-piperazinecarboximidothioate

CAS Registry Number®

343375-54-2
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CAS Name

Methyl N-cyano-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-piperazinecarboximidothioate

Molecular Formula

C14H13F3N6O4S

Molecular Mass

418.35

Cite this Page

Methyl N-cyano-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-piperazinecarboximidothioate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=343375-54-2 (retrieved 2024-08-06) (CAS RN: 343375-54-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H13F3N6O4S/c1-28-13(19-8-18)21-4-2-20(3-5-21)12-10(22(24)25)6-9(14(15,16)17)7-11(12)23(26)27/h6-7H,2-5H2,1H3

InChIKey

InChIKey=LXTYZBZIJHFIQV-UHFFFAOYSA-N

SMILES

N(=O)(=O)C1=C(C(N(=O)=O)=CC(C(F)(F)F)=C1)N2CCN(C(=NC#N)SC)CC2

Canonical SMILES

N#CN=C(SC)N1CCN(C2=C(C=C(C=C2N(=O)=O)C(F)(F)F)N(=O)=O)CC1

Other Names for this Substance

  • 1-Piperazinecarboximidothioic acid, N-cyano-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-, methyl ester
  • Methyl N-cyano-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-piperazinecarboximidothioate