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

Systemtic Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyl-benzimidazole Openeye Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyl-benzimidazole CAS Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1-phenylbenzimidazole IUPAC Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenylbenzimidazole Traditional Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1-phenyl-benzimidazole Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4N3C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4N3C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O4S/c26-25(27)18-10-15-12-28-14-29-21(15)16(11-18)13-30-22-23-19-8-4-5-9-20(19)24(22)17-6-2-1-3-7-17/h1-11H,12-14H2