2-methylsulfanyl-6-oxidanylidene-7-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]octanenitrile

Systemtic Name: 2-methylsulfanyl-6-oxidanylidene-7-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]octanenitrile Openeye Name: 2-methylsulfanyl-6-oxo-7-[4-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenoxy]octanenitrile CAS Name: 2-(methylthio)-6-oxo-7-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]octanenitrile IUPAC Name: 2-methylsulfanyl-6-oxo-7-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]octanenitrile Traditional Name: 6-keto-2-(methylthio)-7-[4-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenoxy]caprylonitrile Formula: C21H21F3N2O3S MolecularWeight: 438.46325

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)CCCC(C#N)SC)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C(=O)CCCC(C#N)SC)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C21H21F3N2O3S/c1-14(19(27)5-3-4-18(12-25)30-2)28-16-7-9-17(10-8-16)29-20-11-6-15(13-26-20)21(22,23)24/h6-11,13-14,18H,3-5H2,1-2H3