2-(3-methylsulfanylpropyl)-3-oxidanylidene-4-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]pentanenitrile

Systemtic Name: 2-(3-methylsulfanylpropyl)-3-oxidanylidene-4-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]pentanenitrile Openeye Name: 2-(3-methylsulfanylpropyl)-3-oxo-4-[4-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenoxy]pentanenitrile CAS Name: 2-[3-(methylthio)propyl]-3-oxo-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]pentanenitrile IUPAC Name: 2-(3-methylsulfanylpropyl)-3-oxo-4-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]pentanenitrile Traditional Name: 3-keto-2-[3-(methylthio)propyl]-4-[4-[[5-(trifluoromethyl)-2-pyridyl]oxy]phenoxy]valeronitrile Formula: C21H21F3N2O3S MolecularWeight: 438.46325

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21F3N2O3S/c1-14(20(27)15(12-25)4-3-11-30-2)28-17-6-8-18(9-7-17)29-19-10-5-16(13-26-19)21(22,23)24/h5-10,13-15H,3-4,11H2,1-2H3