3,5-bis(chloranyl)-N-[3-cyano-4-(4-methylphenyl)sulfanyl-phenyl]benzamide

Systemtic Name: 3,5-bis(chloranyl)-N-[3-cyano-4-(4-methylphenyl)sulfanyl-phenyl]benzamide Openeye Name: 3,5-dichloro-N-[3-cyano-4-(p-tolylsulfanyl)phenyl]benzamide CAS Name: 3,5-dichloro-N-[3-cyano-4-[(4-methylphenyl)thio]phenyl]benzamide IUPAC Name: 3,5-dichloro-N-[3-cyano-4-(4-methylphenyl)sulfanylphenyl]benzamide Traditional Name: 3,5-dichloro-N-[3-cyano-4-(p-tolylthio)phenyl]benzamide Formula: C21H14Cl2N2OS MolecularWeight: 413.31966

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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(=C3)Cl)Cl)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H14Cl2N2OS/c1-13-2-5-19(6-3-13)27-20-7-4-18(10-15(20)12-24)25-21(26)14-8-16(22)11-17(23)9-14/h2-11H,1H3,(H,25,26)