2-[3-(dipropylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl]sulfanylethanenitrile

Systemtic Name: 2-[3-(dipropylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl]sulfanylethanenitrile Openeye Name: 2-[3-(dipropylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl]sulfanylacetonitrile CAS Name: 2-[[3-(dipropylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl]thio]acetonitrile IUPAC Name: 2-[3-(dipropylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl]sulfanylacetonitrile Traditional Name: 2-[[3-(dipropylamino)-2,4-dinitro-6-(trifluoromethyl)phenyl]thio]acetonitrile Formula: C15H17F3N4O4S MolecularWeight: 406.38009

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C1=C(C=C(C(=C1[N+](=O)[O-])SCC#N)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCN(CCC)C1=C(C=C(C(=C1[N+](=O)[O-])SCC#N)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H17F3N4O4S/c1-3-6-20(7-4-2)12-11(21(23)24)9-10(15(16,17)18)14(27-8-5-19)13(12)22(25)26/h9H,3-4,6-8H2,1-2H3