7-nitro-4-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2,1,3-benzoxadiazole

Systemtic Name: 7-nitro-4-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2,1,3-benzoxadiazole Openeye Name: 7-nitro-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2,1,3-benzoxadiazole CAS Name: 7-nitro-4-[(1-oxido-2-pyridin-1-iumyl)thio]-2,1,3-benzoxadiazole IUPAC Name: 7-nitro-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2,1,3-benzoxadiazole Traditional Name: 4-nitro-7-[(1-oxidopyridin-1-ium-2-yl)thio]benzofurazan Formula: C11H6N4O4S MolecularWeight: 290.25474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SC2=CC=C(C3=NON=C23)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SC2=CC=C(C3=NON=C23)[N+](=O)[O-])[O-]

InChI

InChI=1S/C11H6N4O4S/c16-14-6-2-1-3-9(14)20-8-5-4-7(15(17)18)10-11(8)13-19-12-10/h1-6H