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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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