6-nitro-2-(4-nitro-2-pyridin-2-yl-phenyl)sulfinyl-1H-benzimidazole

Systemtic Name: 6-nitro-2-(4-nitro-2-pyridin-2-yl-phenyl)sulfinyl-1H-benzimidazole Openeye Name: 6-nitro-2-[4-nitro-2-(2-pyridyl)phenyl]sulfinyl-1H-benzimidazole CAS Name: 6-nitro-2-[4-nitro-2-(2-pyridinyl)phenyl]sulfinyl-1H-benzimidazole IUPAC Name: 6-nitro-2-(4-nitro-2-pyridin-2-ylphenyl)sulfinyl-1H-benzimidazole Traditional Name: 6-nitro-2-[4-nitro-2-(2-pyridyl)phenyl]sulfinyl-1H-benzimidazole Formula: C18H11N5O5S MolecularWeight: 409.37544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=C(C=CC(=C2)[N+](=O)[O-])S(=O)C3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)C2=C(C=CC(=C2)[N+](=O)[O-])S(=O)C3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H11N5O5S/c24-22(25)11-5-7-17(13(9-11)14-3-1-2-8-19-14)29(28)18-20-15-6-4-12(23(26)27)10-16(15)21-18/h1-10H,(H,20,21)