1-[bis(fluoranyl)methyl]-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzimidazole

Systemtic Name: 1-[bis(fluoranyl)methyl]-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzimidazole Openeye Name: 1-(difluoromethyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzimidazole CAS Name: 1-(difluoromethyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]benzimidazole IUPAC Name: 1-(difluoromethyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzimidazole Traditional Name: 1-(difluoromethyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]benzimidazole Formula: C17H13F2N3O4S MolecularWeight: 393.364626

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4N3C(F)F)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4N3C(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H13F2N3O4S/c18-16(19)21-14-4-2-1-3-13(14)20-17(21)27-8-11-6-12(22(23)24)5-10-7-25-9-26-15(10)11/h1-6,16H,7-9H2