2-oxidanyl-3-phenethylsulfanyl-6-pyridin-4-yl-pyran-4-one

Systemtic Name: 2-oxidanyl-3-phenethylsulfanyl-6-pyridin-4-yl-pyran-4-one Openeye Name: 2-hydroxy-3-phenethylsulfanyl-6-(4-pyridyl)pyran-4-one CAS Name: 2-hydroxy-3-(phenethylthio)-6-pyridin-4-yl-4-pyranone IUPAC Name: 2-hydroxy-3-phenethylsulfanyl-6-pyridin-4-ylpyran-4-one Traditional Name: 2-hydroxy-3-(phenethylthio)-6-(4-pyridyl)pyran-4-one Formula: C18H15NO3S MolecularWeight: 325.3816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=C(OC(=CC2=O)C3=CC=NC=C3)O

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=C(OC(=CC2=O)C3=CC=NC=C3)O

InChI

InChI=1S/C18H15NO3S/c20-15-12-16(14-6-9-19-10-7-14)22-18(21)17(15)23-11-8-13-4-2-1-3-5-13/h1-7,9-10,12,21H,8,11H2