7-(4-methylphenyl)sulfonyl-3-oxidanidyl-4-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2,1,3-benzoxadiazol-3-ium

Systemtic Name: 7-(4-methylphenyl)sulfonyl-3-oxidanidyl-4-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2,1,3-benzoxadiazol-3-ium Openeye Name: 3-oxido-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-7-(p-tolylsulfonyl)-2,1,3-benzoxadiazol-3-ium CAS Name: 7-(4-methylphenyl)sulfonyl-3-oxido-4-[(1-oxido-2-pyridin-1-iumyl)thio]-2,1,3-benzoxadiazol-3-ium IUPAC Name: 7-(4-methylphenyl)sulfonyl-3-oxido-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2,1,3-benzoxadiazol-3-ium Traditional Name: 1-oxido-7-[(1-oxidopyridin-1-ium-2-yl)thio]-4-tosyl-benzofurazan-1-ium Formula: C18H13N3O5S2 MolecularWeight: 415.44292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C3=[N+](ON=C23)[O-])SC4=CC=CC=[N+]4[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C3=[N+](ON=C23)[O-])SC4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C18H13N3O5S2/c1-12-5-7-13(8-6-12)28(24,25)15-10-9-14(18-17(15)19-26-21(18)23)27-16-4-2-3-11-20(16)22/h2-11H,1H3