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

Systemtic Name: 5-chloranyl-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-(phenylmethyl)benzimidazole Openeye Name: 1-benzyl-5-chloro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzimidazole CAS Name: 5-chloro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1-(phenylmethyl)benzimidazole IUPAC Name: 1-benzyl-5-chloro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzimidazole Traditional Name: 1-benzyl-5-chloro-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]benzimidazole Formula: C23H18ClN3O4S MolecularWeight: 467.92472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18ClN3O4S/c24-18-6-7-21-20(10-18)25-23(26(21)11-15-4-2-1-3-5-15)32-13-17-9-19(27(28)29)8-16-12-30-14-31-22(16)17/h1-10H,11-14H2