1-(4-fluoranyl-3-phenylmethoxy-phenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone

Systemtic Name: 1-(4-fluoranyl-3-phenylmethoxy-phenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone Openeye Name: 1-(3-benzyloxy-4-fluoro-phenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone CAS Name: 1-(4-fluoro-3-phenylmethoxyphenyl)-2-[2-(methylthio)-4-pyrimidinyl]ethanone IUPAC Name: 1-(4-fluoro-3-phenylmethoxyphenyl)-2-(2-methylsulfanylpyrimidin-4-yl)ethanone Traditional Name: 1-(3-benzoxy-4-fluoro-phenyl)-2-[2-(methylthio)pyrimidin-4-yl]ethanone Formula: C20H17FN2O2S MolecularWeight: 368.424583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17FN2O2S/c1-26-20-22-10-9-16(23-20)12-18(24)15-7-8-17(21)19(11-15)25-13-14-5-3-2-4-6-14/h2-11H,12-13H2,1H3