4-[4-[bis(fluoranyl)methyl]phenyl]-2-methoxy-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile

Systemtic Name: 4-[4-[bis(fluoranyl)methyl]phenyl]-2-methoxy-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile Openeye Name: 4-[4-(difluoromethyl)phenyl]-2-methoxy-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile CAS Name: 4-[4-(difluoromethyl)phenyl]-2-methoxy-5-(4-methylsulfonylphenyl)-3-pyridinecarbonitrile IUPAC Name: 4-[4-(difluoromethyl)phenyl]-2-methoxy-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile Traditional Name: 4-[4-(difluoromethyl)phenyl]-5-(4-mesylphenyl)-2-methoxy-nicotinonitrile Formula: C21H16F2N2O3S MolecularWeight: 414.425146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C(=C1C#N)C2=CC=C(C=C2)C(F)F)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC1=NC=C(C(=C1C#N)C2=CC=C(C=C2)C(F)F)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H16F2N2O3S/c1-28-21-17(11-24)19(14-3-5-15(6-4-14)20(22)23)18(12-25-21)13-7-9-16(10-8-13)29(2,26)27/h3-10,12,20H,1-2H3