[4-[(3-chloranyl-4-cyano-1,2-thiazol-5-yl)oxy]phenyl] 4-bromanylbenzenesulfonate

Systemtic Name: [4-[(3-chloranyl-4-cyano-1,2-thiazol-5-yl)oxy]phenyl] 4-bromanylbenzenesulfonate Openeye Name: [4-(3-chloro-4-cyano-isothiazol-5-yl)oxyphenyl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [4-[(3-chloro-4-cyano-5-isothiazolyl)oxy]phenyl] ester IUPAC Name: [4-[(3-chloro-4-cyano-1,2-thiazol-5-yl)oxy]phenyl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [4-(3-chloro-4-cyano-isothiazol-5-yl)oxyphenyl] ester Formula: C16H8BrClN2O4S2 MolecularWeight: 471.73272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC2=C(C(=NS2)Cl)C#N)OS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC=C1OC2=C(C(=NS2)Cl)C#N)OS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H8BrClN2O4S2/c17-10-1-7-13(8-2-10)26(21,22)24-12-5-3-11(4-6-12)23-16-14(9-19)15(18)20-25-16/h1-8H