(2-bromanyl-4-cyano-6-ethoxy-phenyl) 2,1,3-benzothiadiazole-4-sulfonate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 2,1,3-benzothiadiazole-4-sulfonate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 2,1,3-benzothiadiazole-4-sulfonate CAS Name: 2,1,3-benzothiadiazole-4-sulfonic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 2,1,3-benzothiadiazole-4-sulfonate Traditional Name: piazthiole-4-sulfonic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C15H10BrN3O4S2 MolecularWeight: 440.2916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OS(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OS(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C15H10BrN3O4S2/c1-2-22-12-7-9(8-17)6-10(16)15(12)23-25(20,21)13-5-3-4-11-14(13)19-24-18-11/h3-7H,2H2,1H3