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

Systemtic Name: N-[3-cyano-4-(4-methylphenyl)sulfanyl-phenyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[3-cyano-4-(p-tolylsulfanyl)phenyl]-3-(trifluoromethyl)benzamide CAS Name: N-[3-cyano-4-[(4-methylphenyl)thio]phenyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[3-cyano-4-(4-methylphenyl)sulfanylphenyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[3-cyano-4-(p-tolylthio)phenyl]-3-(trifluoromethyl)benzamide Formula: C22H15F3N2OS MolecularWeight: 412.42751

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(=CC=C3)C(F)(F)F)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H15F3N2OS/c1-14-5-8-19(9-6-14)29-20-10-7-18(12-16(20)13-26)27-21(28)15-3-2-4-17(11-15)22(23,24)25/h2-12H,1H3,(H,27,28)