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

Systemtic Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-(phenylmethyl)-5-(trifluoromethyl)benzimidazole Openeye Name: 1-benzyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(trifluoromethyl)benzimidazole CAS Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1-(phenylmethyl)-5-(trifluoromethyl)benzimidazole IUPAC Name: 1-benzyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(trifluoromethyl)benzimidazole Traditional Name: 1-benzyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(trifluoromethyl)benzimidazole Formula: C24H18F3N3O4S MolecularWeight: 501.47763

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=C(N3CC5=CC=CC=C5)C=CC(=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C24H18F3N3O4S/c25-24(26,27)18-6-7-21-20(10-18)28-23(29(21)11-15-4-2-1-3-5-15)35-13-17-9-19(30(31)32)8-16-12-33-14-34-22(16)17/h1-10H,11-14H2