2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-1-phenyl-benzimidazole

Systemtic Name: 2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-1-phenyl-benzimidazole Openeye Name: 2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-1-phenyl-benzimidazole CAS Name: 2-[(6-nitro-1H-benzimidazol-2-yl)methylthio]-1-phenylbenzimidazole IUPAC Name: 2-[(6-nitro-1H-benzimidazol-2-yl)methylsulfanyl]-1-phenylbenzimidazole Traditional Name: 2-[(6-nitro-1H-benzimidazol-2-yl)methylthio]-1-phenyl-benzimidazole Formula: C21H15N5O2S MolecularWeight: 401.4411

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC4=NC5=C(N4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC4=NC5=C(N4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H15N5O2S/c27-26(28)15-10-11-16-18(12-15)23-20(22-16)13-29-21-24-17-8-4-5-9-19(17)25(21)14-6-2-1-3-7-14/h1-12H,13H2,(H,22,23)