[3-(2,2-diethylhydrazinyl)-2,4-dinitro-6-(trifluoromethyl)phenyl] thiocyanate

Systemtic Name: [3-(2,2-diethylhydrazinyl)-2,4-dinitro-6-(trifluoromethyl)phenyl] thiocyanate Openeye Name: [3-(2,2-diethylhydrazino)-2,4-dinitro-6-(trifluoromethyl)phenyl] thiocyanate CAS Name: thiocyanic acid [3-(2,2-diethylhydrazinyl)-2,4-dinitro-6-(trifluoromethyl)phenyl] ester IUPAC Name: [3-(2,2-diethylhydrazinyl)-2,4-dinitro-6-(trifluoromethyl)phenyl] thiocyanate Traditional Name: thiocyanic acid [3-(N',N'-diethylhydrazino)-2,4-dinitro-6-(trifluoromethyl)phenyl] ester Formula: C12H12F3N5O4S MolecularWeight: 379.31499

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])SC#N)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)NC1=C(C=C(C(=C1[N+](=O)[O-])SC#N)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H12F3N5O4S/c1-3-18(4-2)17-9-8(19(21)22)5-7(12(13,14)15)11(25-6-16)10(9)20(23)24/h5,17H,3-4H2,1-2H3