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

Systemtic Name: N-[3-cyano-4-[3-(trifluoromethyl)phenyl]sulfanyl-phenyl]-4-fluoranyl-benzamide Openeye Name: N-[3-cyano-4-[3-(trifluoromethyl)phenyl]sulfanyl-phenyl]-4-fluoro-benzamide CAS Name: N-[3-cyano-4-[[3-(trifluoromethyl)phenyl]thio]phenyl]-4-fluorobenzamide IUPAC Name: N-[3-cyano-4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]-4-fluorobenzamide Traditional Name: N-[3-cyano-4-[[3-(trifluoromethyl)phenyl]thio]phenyl]-4-fluoro-benzamide Formula: C21H12F4N2OS MolecularWeight: 416.391393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H12F4N2OS/c22-16-6-4-13(5-7-16)20(28)27-17-8-9-19(14(10-17)12-26)29-18-3-1-2-15(11-18)21(23,24)25/h1-11H,(H,27,28)