4-[6-methoxy-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[6-methoxy-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridin-3-yl]benzenecarbonitrile Openeye Name: 4-[6-methoxy-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-3-pyridyl]benzonitrile CAS Name: 4-[6-methoxy-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-3-pyridinyl]benzonitrile IUPAC Name: 4-[6-methoxy-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyridin-3-yl]benzonitrile Traditional Name: 4-[4-(4-mesylphenyl)-6-methoxy-2-(trifluoromethyl)-3-pyridyl]benzonitrile Formula: C21H15F3N2O3S MolecularWeight: 432.41561

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

COC1=NC(=C(C(=C1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=C(C=C3)C#N)C(F)(F)F

InChI

InChI=1S/C21H15F3N2O3S/c1-29-18-11-17(14-7-9-16(10-8-14)30(2,27)28)19(20(26-18)21(22,23)24)15-5-3-13(12-25)4-6-15/h3-11H,1-2H3