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

Systemtic Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenethyl-benzimidazole Openeye Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenethyl-benzimidazole CAS Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1-phenethylbenzimidazole IUPAC Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenethylbenzimidazole Traditional Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1-phenethyl-benzimidazole Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4N3CCC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4N3CCC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O4S/c28-27(29)20-12-18-14-30-16-31-23(18)19(13-20)15-32-24-25-21-8-4-5-9-22(21)26(24)11-10-17-6-2-1-3-7-17/h1-9,12-13H,10-11,14-16H2