methyl N-cyano-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine-1-carboximidothioate

Systemtic Name: methyl N-cyano-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine-1-carboximidothioate Openeye Name: methyl N-cyano-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine-1-carboximidothioate CAS Name: N-cyano-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-piperazinecarboximidothioic acid methyl ester IUPAC Name: methyl N-cyano-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine-1-carboximidothioate Traditional Name: N-cyano-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine-1-carboximidothioic acid methyl ester Formula: C14H13F3N6O4S MolecularWeight: 418.35103

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC#N)N1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CSC(=NC#N)N1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

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