3-(phenylmethylsulfanyl)-6-(2-pyridin-4-ylethyl)pyran-2-one

Systemtic Name: 3-(phenylmethylsulfanyl)-6-(2-pyridin-4-ylethyl)pyran-2-one Openeye Name: 3-benzylsulfanyl-6-[2-(4-pyridyl)ethyl]pyran-2-one CAS Name: 3-(phenylmethylthio)-6-(2-pyridin-4-ylethyl)-2-pyranone IUPAC Name: 3-benzylsulfanyl-6-(2-pyridin-4-ylethyl)pyran-2-one Traditional Name: 3-(benzylthio)-6-[2-(4-pyridyl)ethyl]pyran-2-one Formula: C19H17NO2S MolecularWeight: 323.40878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=C(OC2=O)CCC3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=C(OC2=O)CCC3=CC=NC=C3

InChI

InChI=1S/C19H17NO2S/c21-19-18(23-14-16-4-2-1-3-5-16)9-8-17(22-19)7-6-15-10-12-20-13-11-15/h1-5,8-13H,6-7,14H2