(4-chlorophenyl) 2-sulfanylidene-3H-1,3-benzothiazole-5-sulfonate

Systemtic Name: (4-chlorophenyl) 2-sulfanylidene-3H-1,3-benzothiazole-5-sulfonate Openeye Name: (4-chlorophenyl) 2-thioxo-3H-1,3-benzothiazole-5-sulfonate CAS Name: 2-sulfanylidene-3H-1,3-benzothiazole-5-sulfonic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 2-sulfanylidene-3H-1,3-benzothiazole-5-sulfonate Traditional Name: 2-thioxo-3H-1,3-benzothiazole-5-sulfonic acid (4-chlorophenyl) ester Formula: C13H8ClNO3S3 MolecularWeight: 357.85552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OS(=O)(=O)C2=CC3=C(C=C2)SC(=S)N3)Cl

Isomeric SMILES

C1=CC(=CC=C1OS(=O)(=O)C2=CC3=C(C=C2)SC(=S)N3)Cl

InChI

InChI=1S/C13H8ClNO3S3/c14-8-1-3-9(4-2-8)18-21(16,17)10-5-6-12-11(7-10)15-13(19)20-12/h1-7H,(H,15,19)