3-phenethylsulfanyl-6-[4-(pyridin-4-ylmethoxy)phenyl]pyran-2-one

Systemtic Name: 3-phenethylsulfanyl-6-[4-(pyridin-4-ylmethoxy)phenyl]pyran-2-one Openeye Name: 3-phenethylsulfanyl-6-[4-(4-pyridylmethoxy)phenyl]pyran-2-one CAS Name: 3-(phenethylthio)-6-[4-(pyridin-4-ylmethoxy)phenyl]-2-pyranone IUPAC Name: 3-phenethylsulfanyl-6-[4-(pyridin-4-ylmethoxy)phenyl]pyran-2-one Traditional Name: 3-(phenethylthio)-6-[4-(4-pyridylmethoxy)phenyl]pyran-2-one Formula: C25H21NO3S MolecularWeight: 415.50414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=CC=C(OC2=O)C3=CC=C(C=C3)OCC4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=CC=C(OC2=O)C3=CC=C(C=C3)OCC4=CC=NC=C4

InChI

InChI=1S/C25H21NO3S/c27-25-24(30-17-14-19-4-2-1-3-5-19)11-10-23(29-25)21-6-8-22(9-7-21)28-18-20-12-15-26-16-13-20/h1-13,15-16H,14,17-18H2