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

Systemtic Name: 4-(4-methylphenyl)sulfonyl-7-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-2,1,3-benzoxadiazole Openeye Name: 7-(1-oxidopyridin-1-ium-2-yl)sulfanyl-4-(p-tolylsulfonyl)-2,1,3-benzoxadiazole CAS Name: 4-(4-methylphenyl)sulfonyl-7-[(1-oxido-2-pyridin-1-iumyl)thio]-2,1,3-benzoxadiazole IUPAC Name: 4-(4-methylphenyl)sulfonyl-7-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2,1,3-benzoxadiazole Traditional Name: 4-[(1-oxidopyridin-1-ium-2-yl)thio]-7-tosyl-benzofurazan Formula: C18H13N3O4S2 MolecularWeight: 399.44352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O4S2/c1-12-5-7-13(8-6-12)27(23,24)15-10-9-14(17-18(15)20-25-19-17)26-16-4-2-3-11-21(16)22/h2-11H,1H3