2-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 2-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 2-[2-(3-methoxyphenyl)-2-oxo-ethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 2-[[2-(3-methoxyphenyl)-2-oxoethyl]thio]-6-phenyl-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(3-methoxyphenyl)ethyl]thio]-6-phenyl-4-(trifluoromethyl)nicotinonitrile Formula: C22H15F3N2O2S MolecularWeight: 428.42691

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15F3N2O2S/c1-29-16-9-5-8-15(10-16)20(28)13-30-21-17(12-26)18(22(23,24)25)11-19(27-21)14-6-3-2-4-7-14/h2-11H,13H2,1H3