5-(4-methylphenyl)sulfonyl-4-nitro-2,1,3-benzothiadiazole

Systemtic Name: 5-(4-methylphenyl)sulfonyl-4-nitro-2,1,3-benzothiadiazole Openeye Name: 4-nitro-5-(p-tolylsulfonyl)-2,1,3-benzothiadiazole CAS Name: 5-(4-methylphenyl)sulfonyl-4-nitro-2,1,3-benzothiadiazole IUPAC Name: 5-(4-methylphenyl)sulfonyl-4-nitro-2,1,3-benzothiadiazole Traditional Name: 4-nitro-5-tosyl-piazthiole Formula: C13H9N3O4S2 MolecularWeight: 335.35826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=NSN=C3C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=NSN=C3C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O4S2/c1-8-2-4-9(5-3-8)22(19,20)11-7-6-10-12(15-21-14-10)13(11)16(17)18/h2-7H,1H3