2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-sulfanyl-benzoic acid

Systemtic Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-sulfanyl-benzoic acid Openeye Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-sulfanyl-benzoic acid CAS Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-mercaptobenzoic acid IUPAC Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-sulfanylbenzoic acid Traditional Name: 4-mercapto-2-(piazthiol-4-ylsulfonylamino)benzoic acid Formula: C13H9N3O4S3 MolecularWeight: 367.42326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1)S(=O)(=O)NC3=C(C=CC(=C3)S)C(=O)O

Isomeric SMILES

C1=CC2=NSN=C2C(=C1)S(=O)(=O)NC3=C(C=CC(=C3)S)C(=O)O

InChI

InChI=1S/C13H9N3O4S3/c17-13(18)8-5-4-7(21)6-10(8)16-23(19,20)11-3-1-2-9-12(11)15-22-14-9/h1-6,16,21H,(H,17,18)