N-[2-[(6-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-cyano-benzenesulfonamide

Systemtic Name: N-[2-[(6-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-cyano-benzenesulfonamide Openeye Name: N-[2-[(6-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-cyano-benzenesulfonamide CAS Name: N-[2-[(6-chloro-1,3-benzothiazol-2-yl)thio]phenyl]-4-cyanobenzenesulfonamide IUPAC Name: N-[2-[(6-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-cyanobenzenesulfonamide Traditional Name: N-[2-[(6-chloro-1,3-benzothiazol-2-yl)thio]phenyl]-4-cyano-benzenesulfonamide Formula: C20H12ClN3O2S3 MolecularWeight: 457.97618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=C(C=C2)C#N)SC3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)NS(=O)(=O)C2=CC=C(C=C2)C#N)SC3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C20H12ClN3O2S3/c21-14-7-10-16-19(11-14)28-20(23-16)27-18-4-2-1-3-17(18)24-29(25,26)15-8-5-13(12-22)6-9-15/h1-11,24H