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

Systemtic Name: N-[2-[(6-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-cyano-benzamide Openeye Name: N-[2-[(6-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-cyano-benzamide CAS Name: N-[2-[(6-chloro-1,3-benzothiazol-2-yl)thio]phenyl]-4-cyanobenzamide IUPAC Name: N-[2-[(6-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl]-4-cyanobenzamide Traditional Name: N-[2-[(6-chloro-1,3-benzothiazol-2-yl)thio]phenyl]-4-cyano-benzamide Formula: C21H12ClN3OS2 MolecularWeight: 421.92248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H12ClN3OS2/c22-15-9-10-17-19(11-15)28-21(25-17)27-18-4-2-1-3-16(18)24-20(26)14-7-5-13(12-23)6-8-14/h1-11H,(H,24,26)