1-(2,5-dimethylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-(2,5-dimethylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-(2,5-dimethylphenyl)-2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-(2,5-dimethylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-(2,5-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)thio]ethanone Formula: C16H18N2OS MolecularWeight: 286.39192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CSC2=NC(=CC(=N2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CSC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C16H18N2OS/c1-10-5-6-11(2)14(7-10)15(19)9-20-16-17-12(3)8-13(4)18-16/h5-8H,9H2,1-4H3