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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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