1-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-5-(5-methyl-2-oxidanyl-phenyl)carbonyl-2-oxidanylidene-pyridine-3-carbonitrile

Systemtic Name: 1-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-5-(5-methyl-2-oxidanyl-phenyl)carbonyl-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 1-[4-(difluoromethylsulfanyl)phenyl]-5-(2-hydroxy-5-methyl-benzoyl)-2-oxo-pyridine-3-carbonitrile CAS Name: 1-[4-(difluoromethylthio)phenyl]-5-[(2-hydroxy-5-methylphenyl)-oxomethyl]-2-oxo-3-pyridinecarbonitrile IUPAC Name: 1-[4-(difluoromethylsulfanyl)phenyl]-5-(2-hydroxy-5-methylbenzoyl)-2-oxopyridine-3-carbonitrile Traditional Name: 1-[4-(difluoromethylthio)phenyl]-5-(2-hydroxy-5-methyl-benzoyl)-2-keto-nicotinonitrile Formula: C21H14F2N2O3S MolecularWeight: 412.409266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)C2=CN(C(=O)C(=C2)C#N)C3=CC=C(C=C3)SC(F)F

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)C2=CN(C(=O)C(=C2)C#N)C3=CC=C(C=C3)SC(F)F

InChI

InChI=1S/C21H14F2N2O3S/c1-12-2-7-18(26)17(8-12)19(27)14-9-13(10-24)20(28)25(11-14)15-3-5-16(6-4-15)29-21(22)23/h2-9,11,21,26H,1H3