7-(4-methylphenyl)sulfonyl-3-oxidanidyl-4-pyridin-2-ylsulfanyl-2,1,3-benzoxadiazol-3-ium

Systemtic Name: 7-(4-methylphenyl)sulfonyl-3-oxidanidyl-4-pyridin-2-ylsulfanyl-2,1,3-benzoxadiazol-3-ium Openeye Name: 3-oxido-7-(p-tolylsulfonyl)-4-(2-pyridylsulfanyl)-2,1,3-benzoxadiazol-3-ium CAS Name: 7-(4-methylphenyl)sulfonyl-3-oxido-4-(2-pyridinylthio)-2,1,3-benzoxadiazol-3-ium IUPAC Name: 7-(4-methylphenyl)sulfonyl-3-oxido-4-pyridin-2-ylsulfanyl-2,1,3-benzoxadiazol-3-ium Traditional Name: 1-oxido-7-(2-pyridylthio)-4-tosyl-benzofurazan-1-ium 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=[N+](ON=C23)[O-])SC4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C3=[N+](ON=C23)[O-])SC4=CC=CC=N4

InChI

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