4-chloranyl-N-[5-cyano-2-(4-methylphenyl)sulfanyl-phenyl]benzamide

Systemtic Name: 4-chloranyl-N-[5-cyano-2-(4-methylphenyl)sulfanyl-phenyl]benzamide Openeye Name: 4-chloro-N-[5-cyano-2-(p-tolylsulfanyl)phenyl]benzamide CAS Name: 4-chloro-N-[5-cyano-2-[(4-methylphenyl)thio]phenyl]benzamide IUPAC Name: 4-chloro-N-[5-cyano-2-(4-methylphenyl)sulfanylphenyl]benzamide Traditional Name: 4-chloro-N-[5-cyano-2-(p-tolylthio)phenyl]benzamide Formula: C21H15ClN2OS MolecularWeight: 378.8746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C#N)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C#N)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H15ClN2OS/c1-14-2-9-18(10-3-14)26-20-11-4-15(13-23)12-19(20)24-21(25)16-5-7-17(22)8-6-16/h2-12H,1H3,(H,24,25)