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

Systemtic Name: 6-[3-methyl-4-(pyridin-3-ylmethoxy)phenyl]-3-phenethylsulfanyl-pyran-2-one Openeye Name: 6-[3-methyl-4-(3-pyridylmethoxy)phenyl]-3-phenethylsulfanyl-pyran-2-one CAS Name: 6-[3-methyl-4-(3-pyridinylmethoxy)phenyl]-3-(phenethylthio)-2-pyranone IUPAC Name: 6-[3-methyl-4-(pyridin-3-ylmethoxy)phenyl]-3-phenethylsulfanylpyran-2-one Traditional Name: 6-[3-methyl-4-(3-pyridylmethoxy)phenyl]-3-(phenethylthio)pyran-2-one Formula: C26H23NO3S MolecularWeight: 429.53072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC=C(C(=O)O2)SCCC3=CC=CC=C3)OCC4=CN=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC=C(C(=O)O2)SCCC3=CC=CC=C3)OCC4=CN=CC=C4

InChI

InChI=1S/C26H23NO3S/c1-19-16-22(9-10-23(19)29-18-21-8-5-14-27-17-21)24-11-12-25(26(28)30-24)31-15-13-20-6-3-2-4-7-20/h2-12,14,16-17H,13,15,18H2,1H3