2-[3-(methylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl]sulfanylpropanenitrile

Systemtic Name: 2-[3-(methylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl]sulfanylpropanenitrile Openeye Name: 2-[3-(methylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl]sulfanylpropanenitrile CAS Name: 2-[[3-(methylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl]thio]propanenitrile IUPAC Name: 2-[3-(methylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl]sulfanylpropanenitrile Traditional Name: 2-[[3-(methylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl]thio]propionitrile Formula: C11H9F3N4O4S MolecularWeight: 350.27377

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=C(C(=C(C=C1C(F)(F)F)[N+](=O)[O-])NC)[N+](=O)[O-]

Isomeric SMILES

CC(C#N)SC1=C(C(=C(C=C1C(F)(F)F)[N+](=O)[O-])NC)[N+](=O)[O-]

InChI

InChI=1S/C11H9F3N4O4S/c1-5(4-15)23-10-6(11(12,13)14)3-7(17(19)20)8(16-2)9(10)18(21)22/h3,5,16H,1-2H3