6-oxidanyl-2-phenethyl-5-(phenylmethylsulfanyl)-2-pyridin-4-yl-3H-pyran-4-one

Systemtic Name: 6-oxidanyl-2-phenethyl-5-(phenylmethylsulfanyl)-2-pyridin-4-yl-3H-pyran-4-one Openeye Name: 5-benzylsulfanyl-6-hydroxy-2-phenethyl-2-(4-pyridyl)-3H-pyran-4-one CAS Name: 6-hydroxy-2-phenethyl-5-(phenylmethylthio)-2-pyridin-4-yl-3H-pyran-4-one IUPAC Name: 5-benzylsulfanyl-6-hydroxy-2-phenethyl-2-pyridin-4-yl-3H-pyran-4-one Traditional Name: 5-(benzylthio)-6-hydroxy-2-phenethyl-2-(4-pyridyl)-3H-pyran-4-one Formula: C25H23NO3S MolecularWeight: 417.52002

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(OC1(CCC2=CC=CC=C2)C3=CC=NC=C3)O)SCC4=CC=CC=C4

Isomeric SMILES

C1C(=O)C(=C(OC1(CCC2=CC=CC=C2)C3=CC=NC=C3)O)SCC4=CC=CC=C4

InChI

InChI=1S/C25H23NO3S/c27-22-17-25(21-12-15-26-16-13-21,14-11-19-7-3-1-4-8-19)29-24(28)23(22)30-18-20-9-5-2-6-10-20/h1-10,12-13,15-16,28H,11,14,17-18H2