1-[3-(diethylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl]sulfanylpyrrolidin-2-one

Systemtic Name: 1-[3-(diethylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl]sulfanylpyrrolidin-2-one Openeye Name: 1-[3-(diethylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl]sulfanylpyrrolidin-2-one CAS Name: 1-[[3-(diethylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl]thio]-2-pyrrolidinone IUPAC Name: 1-[3-(diethylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl]sulfanylpyrrolidin-2-one Traditional Name: 1-[[3-(diethylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl]thio]-2-pyrrolidone Formula: C15H17F3N4O5S MolecularWeight: 422.37949

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C(=C1[N+](=O)[O-])SN2CCCC2=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=C(C=C(C(=C1[N+](=O)[O-])SN2CCCC2=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H17F3N4O5S/c1-3-19(4-2)12-10(21(24)25)8-9(15(16,17)18)14(13(12)22(26)27)28-20-7-5-6-11(20)23/h8H,3-7H2,1-2H3