6-(3,4-dimethoxyphenyl)-2-(3-oxidanylidenebutan-2-ylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-(3,4-dimethoxyphenyl)-2-(3-oxidanylidenebutan-2-ylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(3,4-dimethoxyphenyl)-2-(1-methyl-2-oxo-propyl)sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(3,4-dimethoxyphenyl)-2-(3-oxobutan-2-ylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(3,4-dimethoxyphenyl)-2-(3-oxobutan-2-ylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-(3,4-dimethoxyphenyl)-2-[(2-keto-1-methyl-propyl)thio]-4-(trifluoromethyl)nicotinonitrile Formula: C19H17F3N2O3S MolecularWeight: 410.41009

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=C(C(=CC(=N1)C2=CC(=C(C=C2)OC)OC)C(F)(F)F)C#N

Isomeric SMILES

CC(C(=O)C)SC1=C(C(=CC(=N1)C2=CC(=C(C=C2)OC)OC)C(F)(F)F)C#N

InChI

InChI=1S/C19H17F3N2O3S/c1-10(25)11(2)28-18-13(9-23)14(19(20,21)22)8-15(24-18)12-5-6-16(26-3)17(7-12)27-4/h5-8,11H,1-4H3