2-(4-methylsulfanylpyridin-2-yl)-5-propan-2-yl-cyclohexane-1,3-dione

Systemtic Name: 2-(4-methylsulfanylpyridin-2-yl)-5-propan-2-yl-cyclohexane-1,3-dione Openeye Name: 5-isopropyl-2-(4-methylsulfanyl-2-pyridyl)cyclohexane-1,3-dione CAS Name: 2-[4-(methylthio)-2-pyridinyl]-5-propan-2-ylcyclohexane-1,3-dione IUPAC Name: 2-(4-methylsulfanylpyridin-2-yl)-5-propan-2-ylcyclohexane-1,3-dione Traditional Name: 5-isopropyl-2-[4-(methylthio)-2-pyridyl]cyclohexane-1,3-quinone Formula: C15H19NO2S MolecularWeight: 277.38186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC(=O)C(C(=O)C1)C2=NC=CC(=C2)SC

Isomeric SMILES

CC(C)C1CC(=O)C(C(=O)C1)C2=NC=CC(=C2)SC

InChI

InChI=1S/C15H19NO2S/c1-9(2)10-6-13(17)15(14(18)7-10)12-8-11(19-3)4-5-16-12/h4-5,8-10,15H,6-7H2,1-3H3