2,2,2-tris(fluoranyl)-N-[3-nitro-2-(2-nitro-6-propylsulfanyl-phenyl)phenyl]ethanamide

Systemtic Name: 2,2,2-tris(fluoranyl)-N-[3-nitro-2-(2-nitro-6-propylsulfanyl-phenyl)phenyl]ethanamide Openeye Name: 2,2,2-trifluoro-N-[3-nitro-2-(2-nitro-6-propylsulfanyl-phenyl)phenyl]acetamide CAS Name: 2,2,2-trifluoro-N-[3-nitro-2-[2-nitro-6-(propylthio)phenyl]phenyl]acetamide IUPAC Name: 2,2,2-trifluoro-N-[3-nitro-2-(2-nitro-6-propylsulfanylphenyl)phenyl]acetamide Traditional Name: 2,2,2-trifluoro-N-[3-nitro-2-[2-nitro-6-(propylthio)phenyl]phenyl]acetamide Formula: C17H14F3N3O5S MolecularWeight: 429.37037

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=CC(=C1C2=C(C=CC=C2[N+](=O)[O-])NC(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCCSC1=CC=CC(=C1C2=C(C=CC=C2[N+](=O)[O-])NC(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H14F3N3O5S/c1-2-9-29-13-8-4-7-12(23(27)28)15(13)14-10(21-16(24)17(18,19)20)5-3-6-11(14)22(25)26/h3-8H,2,9H2,1H3,(H,21,24)