5-nitro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-[3-(trifluoromethyl)phenyl]benzimidazole

Systemtic Name: 5-nitro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-[3-(trifluoromethyl)phenyl]benzimidazole Openeye Name: 5-nitro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-[3-(trifluoromethyl)phenyl]benzimidazole CAS Name: 5-nitro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1-[3-(trifluoromethyl)phenyl]benzimidazole IUPAC Name: 5-nitro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-[3-(trifluoromethyl)phenyl]benzimidazole Traditional Name: 5-nitro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1-[3-(trifluoromethyl)phenyl]benzimidazole Formula: C23H15F3N4O6S MolecularWeight: 532.44861

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=C(N3C5=CC=CC(=C5)C(F)(F)F)C=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=C(N3C5=CC=CC(=C5)C(F)(F)F)C=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H15F3N4O6S/c24-23(25,26)15-2-1-3-16(8-15)28-20-5-4-17(29(31)32)9-19(20)27-22(28)37-11-14-7-18(30(33)34)6-13-10-35-12-36-21(13)14/h1-9H,10-12H2