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

Systemtic Name: 2-[(6-bromanyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[(6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-benzimidazole CAS Name: 2-[(6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]-1H-benzimidazole IUPAC Name: 2-[(6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[(6-bromo-2-phenyl-4H-1,3-benzodioxin-8-yl)methylthio]-1H-benzimidazole Formula: C22H17BrN2O2S MolecularWeight: 453.35158

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CSC4=NC5=CC=CC=C5N4)Br

Isomeric SMILES

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)CSC4=NC5=CC=CC=C5N4)Br

InChI

InChI=1S/C22H17BrN2O2S/c23-17-10-15-12-26-21(14-6-2-1-3-7-14)27-20(15)16(11-17)13-28-22-24-18-8-4-5-9-19(18)25-22/h1-11,21H,12-13H2,(H,24,25)