5-[6-(4-methylsulfanylphenoxy)pyridin-2-yl]-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione

Systemtic Name: 5-[6-(4-methylsulfanylphenoxy)pyridin-2-yl]-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione Openeye Name: 2-(1-hydroxypropylidene)-5-[6-(4-methylsulfanylphenoxy)-2-pyridyl]cyclohexane-1,3-dione CAS Name: 2-(1-hydroxypropylidene)-5-[6-[4-(methylthio)phenoxy]-2-pyridinyl]cyclohexane-1,3-dione IUPAC Name: 2-(1-hydroxypropylidene)-5-[6-(4-methylsulfanylphenoxy)pyridin-2-yl]cyclohexane-1,3-dione Traditional Name: 2-(1-hydroxypropylidene)-5-[6-[4-(methylthio)phenoxy]-2-pyridyl]cyclohexane-1,3-quinone Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)C2=NC(=CC=C2)OC3=CC=C(C=C3)SC)O

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)C2=NC(=CC=C2)OC3=CC=C(C=C3)SC)O

InChI

InChI=1S/C21H21NO4S/c1-3-17(23)21-18(24)11-13(12-19(21)25)16-5-4-6-20(22-16)26-14-7-9-15(27-2)10-8-14/h4-10,13,23H,3,11-12H2,1-2H3