4-[[3-[2-(2-methylsulfanylpyrimidin-4-yl)ethanoyl]phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 4-[[3-[2-(2-methylsulfanylpyrimidin-4-yl)ethanoyl]phenoxy]methyl]benzenecarbonitrile Openeye Name: 4-[[3-[2-(2-methylsulfanylpyrimidin-4-yl)acetyl]phenoxy]methyl]benzonitrile CAS Name: 4-[[3-[2-[2-(methylthio)-4-pyrimidinyl]-1-oxoethyl]phenoxy]methyl]benzonitrile IUPAC Name: 4-[[3-[2-(2-methylsulfanylpyrimidin-4-yl)acetyl]phenoxy]methyl]benzonitrile Traditional Name: 4-[[3-[2-[2-(methylthio)pyrimidin-4-yl]acetyl]phenoxy]methyl]benzonitrile Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)CC(=O)C2=CC(=CC=C2)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

CSC1=NC=CC(=N1)CC(=O)C2=CC(=CC=C2)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H17N3O2S/c1-27-21-23-10-9-18(24-21)12-20(25)17-3-2-4-19(11-17)26-14-16-7-5-15(13-22)6-8-16/h2-11H,12,14H2,1H3