2-chloranyl-N-[3-cyano-4-(4-methylphenyl)sulfanyl-phenyl]benzamide

Systemtic Name: 2-chloranyl-N-[3-cyano-4-(4-methylphenyl)sulfanyl-phenyl]benzamide Openeye Name: 2-chloro-N-[3-cyano-4-(p-tolylsulfanyl)phenyl]benzamide CAS Name: 2-chloro-N-[3-cyano-4-[(4-methylphenyl)thio]phenyl]benzamide IUPAC Name: 2-chloro-N-[3-cyano-4-(4-methylphenyl)sulfanylphenyl]benzamide Traditional Name: 2-chloro-N-[3-cyano-4-(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)NC(=O)C3=CC=CC=C3Cl)C#N

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3Cl)C#N

InChI

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