methyl N-cyano-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboximidothioate

Systemtic Name: methyl N-cyano-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboximidothioate Openeye Name: methyl N-cyano-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboximidothioate CAS Name: N-cyano-4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinecarboximidothioic acid methyl ester IUPAC Name: methyl N-cyano-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboximidothioate Traditional Name: N-cyano-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboximidothioic acid methyl ester Formula: C14H14F3N5O2S MolecularWeight: 373.35347

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14F3N5O2S/c1-25-13(19-9-18)21-6-4-20(5-7-21)11-3-2-10(14(15,16)17)8-12(11)22(23)24/h2-3,8H,4-7H2,1H3