4-[4-(4-methylsulfanylphenoxy)phenoxy]-3-oxidanylidene-2-pyridin-2-yl-butanenitrile

Systemtic Name: 4-[4-(4-methylsulfanylphenoxy)phenoxy]-3-oxidanylidene-2-pyridin-2-yl-butanenitrile Openeye Name: 4-[4-(4-methylsulfanylphenoxy)phenoxy]-3-oxo-2-(2-pyridyl)butanenitrile CAS Name: 4-[4-[4-(methylthio)phenoxy]phenoxy]-3-oxo-2-(2-pyridinyl)butanenitrile IUPAC Name: 4-[4-(4-methylsulfanylphenoxy)phenoxy]-3-oxo-2-pyridin-2-ylbutanenitrile Traditional Name: 3-keto-4-[4-[4-(methylthio)phenoxy]phenoxy]-2-(2-pyridyl)butyronitrile Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)OC2=CC=C(C=C2)OCC(=O)C(C#N)C3=CC=CC=N3

Isomeric SMILES

CSC1=CC=C(C=C1)OC2=CC=C(C=C2)OCC(=O)C(C#N)C3=CC=CC=N3

InChI

InChI=1S/C22H18N2O3S/c1-28-19-11-9-18(10-12-19)27-17-7-5-16(6-8-17)26-15-22(25)20(14-23)21-4-2-3-13-24-21/h2-13,20H,15H2,1H3