2-(2-methylsulfanylpyrimidin-4-yl)-1-(3-phenylmethoxyphenyl)ethanone

Systemtic Name: 2-(2-methylsulfanylpyrimidin-4-yl)-1-(3-phenylmethoxyphenyl)ethanone Openeye Name: 1-(3-benzyloxyphenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone CAS Name: 2-[2-(methylthio)-4-pyrimidinyl]-1-(3-phenylmethoxyphenyl)ethanone IUPAC Name: 2-(2-methylsulfanylpyrimidin-4-yl)-1-(3-phenylmethoxyphenyl)ethanone Traditional Name: 1-(3-benzoxyphenyl)-2-[2-(methylthio)pyrimidin-4-yl]ethanone Formula: C20H18N2O2S MolecularWeight: 350.43412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)CC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CSC1=NC=CC(=N1)CC(=O)C2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C20H18N2O2S/c1-25-20-21-11-10-17(22-20)13-19(23)16-8-5-9-18(12-16)24-14-15-6-3-2-4-7-15/h2-12H,13-14H2,1H3