4-(4-chlorophenyl)sulfanyl-7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium Openeye Name: 4-(4-chlorophenyl)sulfanyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium CAS Name: 4-[(4-chlorophenyl)thio]-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium IUPAC Name: 4-(4-chlorophenyl)sulfanyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium Traditional Name: 7-[(4-chlorophenyl)thio]-4-nitro-1-oxido-benzofurazan-1-ium Formula: C12H6ClN3O4S MolecularWeight: 323.71174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1SC2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C12H6ClN3O4S/c13-7-1-3-8(4-2-7)21-10-6-5-9(15(17)18)11-12(10)16(19)20-14-11/h1-6H