1-[3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-ethoxy-phenyl]ethanone

Systemtic Name: 1-[3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-ethoxy-phenyl]ethanone Openeye Name: 1-[3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-ethoxy-phenyl]ethanone CAS Name: 1-[3-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-4-ethoxyphenyl]ethanone IUPAC Name: 1-[3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-ethoxyphenyl]ethanone Traditional Name: 1-[3-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-4-ethoxy-phenyl]ethanone Formula: C17H20N2O2S MolecularWeight: 316.4179

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C17H20N2O2S/c1-5-21-16-7-6-14(13(4)20)9-15(16)10-22-17-18-11(2)8-12(3)19-17/h6-9H,5,10H2,1-4H3