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

Systemtic Name: 4-[2-(4-methylsulfonylphenyl)-4-(trifluoromethyl)phenyl]benzenecarbonitrile Openeye Name: 4-[2-(4-methylsulfonylphenyl)-4-(trifluoromethyl)phenyl]benzonitrile CAS Name: 4-[2-(4-methylsulfonylphenyl)-4-(trifluoromethyl)phenyl]benzonitrile IUPAC Name: 4-[2-(4-methylsulfonylphenyl)-4-(trifluoromethyl)phenyl]benzonitrile Traditional Name: 4-[2-(4-mesylphenyl)-4-(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=CC(=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=CC(=C2)C(F)(F)F)C3=CC=C(C=C3)C#N

InChI

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