6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxidanylidenebutan-2-ylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile

Systemtic Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxidanylidenebutan-2-ylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Openeye Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-2-oxo-propyl)sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile CAS Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxobutan-2-ylthio)-4-(trifluoromethyl)-3-pyridinecarbonitrile IUPAC Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxobutan-2-ylsulfanyl)-4-(trifluoromethyl)pyridine-3-carbonitrile Traditional Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-keto-1-methyl-propyl)thio]-4-(trifluoromethyl)nicotinonitrile Formula: C19H15F3N2O3S MolecularWeight: 408.39421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=C(C(=CC(=N1)C2=CC3=C(C=C2)OCCO3)C(F)(F)F)C#N

Isomeric SMILES

CC(C(=O)C)SC1=C(C(=CC(=N1)C2=CC3=C(C=C2)OCCO3)C(F)(F)F)C#N

InChI

InChI=1S/C19H15F3N2O3S/c1-10(25)11(2)28-18-13(9-23)14(19(20,21)22)8-15(24-18)12-3-4-16-17(7-12)27-6-5-26-16/h3-4,7-8,11H,5-6H2,1-2H3