4-(4-methylphenyl)sulfinyl-7-nitro-2,1,3-benzoxadiazole

Systemtic Name: 4-(4-methylphenyl)sulfinyl-7-nitro-2,1,3-benzoxadiazole Openeye Name: 7-nitro-4-(p-tolylsulfinyl)-2,1,3-benzoxadiazole CAS Name: 4-(4-methylphenyl)sulfinyl-7-nitro-2,1,3-benzoxadiazole IUPAC Name: 4-(4-methylphenyl)sulfinyl-7-nitro-2,1,3-benzoxadiazole Traditional Name: 4-nitro-7-(p-tolylsulfinyl)benzofurazan Formula: C13H9N3O4S MolecularWeight: 303.29326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N3O4S/c1-8-2-4-9(5-3-8)21(19)11-7-6-10(16(17)18)12-13(11)15-20-14-12/h2-7H,1H3