6-(2,6-dimethylpyridin-4-yl)-2-oxidanyl-3-(phenylmethylsulfanyl)pyran-4-one

Systemtic Name: 6-(2,6-dimethylpyridin-4-yl)-2-oxidanyl-3-(phenylmethylsulfanyl)pyran-4-one Openeye Name: 3-benzylsulfanyl-6-(2,6-dimethyl-4-pyridyl)-2-hydroxy-pyran-4-one CAS Name: 6-(2,6-dimethyl-4-pyridinyl)-2-hydroxy-3-(phenylmethylthio)-4-pyranone IUPAC Name: 3-benzylsulfanyl-6-(2,6-dimethylpyridin-4-yl)-2-hydroxypyran-4-one Traditional Name: 3-(benzylthio)-6-(2,6-dimethyl-4-pyridyl)-2-hydroxy-pyran-4-one Formula: C19H17NO3S MolecularWeight: 339.40818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=N1)C)C2=CC(=O)C(=C(O2)O)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=N1)C)C2=CC(=O)C(=C(O2)O)SCC3=CC=CC=C3

InChI

InChI=1S/C19H17NO3S/c1-12-8-15(9-13(2)20-12)17-10-16(21)18(19(22)23-17)24-11-14-6-4-3-5-7-14/h3-10,22H,11H2,1-2H3