7-nitro-3-oxidanidyl-4-phenylsulfanyl-2,1,3-benzoxadiazol-3-ium

Systemtic Name: 7-nitro-3-oxidanidyl-4-phenylsulfanyl-2,1,3-benzoxadiazol-3-ium Openeye Name: 7-nitro-3-oxido-4-phenylsulfanyl-2,1,3-benzoxadiazol-3-ium CAS Name: 7-nitro-3-oxido-4-(phenylthio)-2,1,3-benzoxadiazol-3-ium IUPAC Name: 7-nitro-3-oxido-4-phenylsulfanyl-2,1,3-benzoxadiazol-3-ium Traditional Name: 4-nitro-1-oxido-7-(phenylthio)benzofurazan-1-ium Formula: C12H7N3O4S MolecularWeight: 289.26668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H7N3O4S/c16-14(17)9-6-7-10(12-11(9)13-19-15(12)18)20-8-4-2-1-3-5-8/h1-7H