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

Systemtic Name: 6-[bis(fluoranyl)methyl]-2-[(5-methanoyl-2-methoxy-phenyl)methylsulfanyl]-4-phenyl-pyridine-3-carbonitrile Openeye Name: 6-(difluoromethyl)-2-[(5-formyl-2-methoxy-phenyl)methylsulfanyl]-4-phenyl-pyridine-3-carbonitrile CAS Name: 6-(difluoromethyl)-2-[(5-formyl-2-methoxyphenyl)methylthio]-4-phenyl-3-pyridinecarbonitrile IUPAC Name: 6-(difluoromethyl)-2-[(5-formyl-2-methoxyphenyl)methylsulfanyl]-4-phenylpyridine-3-carbonitrile Traditional Name: 6-(difluoromethyl)-2-[(5-formyl-2-methoxy-benzyl)thio]-4-phenyl-nicotinonitrile Formula: C22H16F2N2O2S MolecularWeight: 410.436446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=O)CSC2=C(C(=CC(=N2)C(F)F)C3=CC=CC=C3)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)C=O)CSC2=C(C(=CC(=N2)C(F)F)C3=CC=CC=C3)C#N

InChI

InChI=1S/C22H16F2N2O2S/c1-28-20-8-7-14(12-27)9-16(20)13-29-22-18(11-25)17(10-19(26-22)21(23)24)15-5-3-2-4-6-15/h2-10,12,21H,13H2,1H3