N-(3-cyano-4-phenylsulfanyl-phenyl)-3-(trifluoromethyl)benzamide

Systemtic Name: N-(3-cyano-4-phenylsulfanyl-phenyl)-3-(trifluoromethyl)benzamide Openeye Name: N-(3-cyano-4-phenylsulfanyl-phenyl)-3-(trifluoromethyl)benzamide CAS Name: N-[3-cyano-4-(phenylthio)phenyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-(3-cyano-4-phenylsulfanylphenyl)-3-(trifluoromethyl)benzamide Traditional Name: N-[3-cyano-4-(phenylthio)phenyl]-3-(trifluoromethyl)benzamide Formula: C21H13F3N2OS MolecularWeight: 398.40093

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=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/C21H13F3N2OS/c22-21(23,24)16-6-4-5-14(11-16)20(27)26-17-9-10-19(15(12-17)13-25)28-18-7-2-1-3-8-18/h1-12H,(H,26,27)