4-[2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)phenyl]benzenecarbonitrile

Systemtic Name: 4-[2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)phenyl]benzenecarbonitrile Openeye Name: 4-[2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)phenyl]benzonitrile CAS Name: 4-[2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)phenyl]benzonitrile IUPAC Name: 4-[2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)phenyl]benzonitrile Traditional Name: 4-[2-(4-mesylphenyl)-5-(trifluoromethyl)phenyl]benzonitrile Formula: C21H14F3NO2S MolecularWeight: 401.40157

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14F3NO2S/c1-28(26,27)18-9-6-15(7-10-18)19-11-8-17(21(22,23)24)12-20(19)16-4-2-14(13-25)3-5-16/h2-12H,1H3