1-[4-methyl-6-(2-methylprop-2-enylsulfanyl)-2-phenyl-pyrimidin-5-yl]ethanone

Systemtic Name: 1-[4-methyl-6-(2-methylprop-2-enylsulfanyl)-2-phenyl-pyrimidin-5-yl]ethanone Openeye Name: 1-[4-methyl-6-(2-methylallylsulfanyl)-2-phenyl-pyrimidin-5-yl]ethanone CAS Name: 1-[4-methyl-6-(2-methylprop-2-enylthio)-2-phenyl-5-pyrimidinyl]ethanone IUPAC Name: 1-[4-methyl-6-(2-methylprop-2-enylsulfanyl)-2-phenylpyrimidin-5-yl]ethanone Traditional Name: 1-[4-methyl-6-(2-methylallylthio)-2-phenyl-pyrimidin-5-yl]ethanone Formula: C17H18N2OS MolecularWeight: 298.40262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC(=C)C)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC(=C)C)C(=O)C

InChI

InChI=1S/C17H18N2OS/c1-11(2)10-21-17-15(13(4)20)12(3)18-16(19-17)14-8-6-5-7-9-14/h5-9H,1,10H2,2-4H3