4-cyano-N-[2-[2,2,2-tris(fluoranyl)ethylsulfanyl]phenyl]benzamide

Systemtic Name: 4-cyano-N-[2-[2,2,2-tris(fluoranyl)ethylsulfanyl]phenyl]benzamide Openeye Name: 4-cyano-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide CAS Name: 4-cyano-N-[2-(2,2,2-trifluoroethylthio)phenyl]benzamide IUPAC Name: 4-cyano-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide Traditional Name: 4-cyano-N-[2-(2,2,2-trifluoroethylthio)phenyl]benzamide Formula: C16H11F3N2OS MolecularWeight: 336.33155

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11F3N2OS/c17-16(18,19)10-23-14-4-2-1-3-13(14)21-15(22)12-7-5-11(9-20)6-8-12/h1-8H,10H2,(H,21,22)