2-[(3-nitrophenyl)methylsulfanyl]-1-(3-nitrophenyl)sulfonyl-benzimidazole

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-1-(3-nitrophenyl)sulfonyl-benzimidazole Openeye Name: 2-[(3-nitrophenyl)methylsulfanyl]-1-(3-nitrophenyl)sulfonyl-benzimidazole CAS Name: 2-[(3-nitrophenyl)methylthio]-1-(3-nitrophenyl)sulfonylbenzimidazole IUPAC Name: 2-[(3-nitrophenyl)methylsulfanyl]-1-(3-nitrophenyl)sulfonylbenzimidazole Traditional Name: 2-[(3-nitrobenzyl)thio]-1-(3-nitrophenyl)sulfonyl-benzimidazole Formula: C20H14N4O6S2 MolecularWeight: 470.47836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N2S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N2S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O6S2/c25-23(26)15-6-3-5-14(11-15)13-31-20-21-18-9-1-2-10-19(18)22(20)32(29,30)17-8-4-7-16(12-17)24(27)28/h1-12H,13H2