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

Systemtic Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-benzimidazole Openeye Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-benzimidazole CAS Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1H-benzimidazole IUPAC Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1H-benzimidazole Traditional Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1H-benzimidazole Formula: C16H13N3O4S MolecularWeight: 343.35712

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O4S/c20-19(21)12-5-10-7-22-9-23-15(10)11(6-12)8-24-16-17-13-3-1-2-4-14(13)18-16/h1-6H,7-9H2,(H,17,18)