2-[3-(6-oxidanyl-4-oxidanylidene-5-phenethylsulfanyl-pyran-2-yl)phenoxy]ethanenitrile

Systemtic Name: 2-[3-(6-oxidanyl-4-oxidanylidene-5-phenethylsulfanyl-pyran-2-yl)phenoxy]ethanenitrile Openeye Name: 2-[3-(6-hydroxy-4-oxo-5-phenethylsulfanyl-pyran-2-yl)phenoxy]acetonitrile CAS Name: 2-[3-[6-hydroxy-4-oxo-5-(phenethylthio)-2-pyranyl]phenoxy]acetonitrile IUPAC Name: 2-[3-(6-hydroxy-4-oxo-5-phenethylsulfanylpyran-2-yl)phenoxy]acetonitrile Traditional Name: 2-[3-[6-hydroxy-4-keto-5-(phenethylthio)pyran-2-yl]phenoxy]acetonitrile Formula: C21H17NO4S MolecularWeight: 379.42898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=C(OC(=CC2=O)C3=CC(=CC=C3)OCC#N)O

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=C(OC(=CC2=O)C3=CC(=CC=C3)OCC#N)O

InChI

InChI=1S/C21H17NO4S/c22-10-11-25-17-8-4-7-16(13-17)19-14-18(23)20(21(24)26-19)27-12-9-15-5-2-1-3-6-15/h1-8,13-14,24H,9,11-12H2