2-[4-[6-oxidanyl-4-oxidanylidene-5-(2-propan-2-ylphenyl)sulfanyl-pyran-2-yl]phenoxy]ethanenitrile

Systemtic Name: 2-[4-[6-oxidanyl-4-oxidanylidene-5-(2-propan-2-ylphenyl)sulfanyl-pyran-2-yl]phenoxy]ethanenitrile Openeye Name: 2-[4-[6-hydroxy-5-(2-isopropylphenyl)sulfanyl-4-oxo-pyran-2-yl]phenoxy]acetonitrile CAS Name: 2-[4-[6-hydroxy-4-oxo-5-[(2-propan-2-ylphenyl)thio]-2-pyranyl]phenoxy]acetonitrile IUPAC Name: 2-[4-[6-hydroxy-4-oxo-5-(2-propan-2-ylphenyl)sulfanylpyran-2-yl]phenoxy]acetonitrile Traditional Name: 2-[4-[6-hydroxy-4-keto-5-(o-cumenylthio)pyran-2-yl]phenoxy]acetonitrile Formula: C22H19NO4S MolecularWeight: 393.45556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(OC(=CC2=O)C3=CC=C(C=C3)OCC#N)O

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(OC(=CC2=O)C3=CC=C(C=C3)OCC#N)O

InChI

InChI=1S/C22H19NO4S/c1-14(2)17-5-3-4-6-20(17)28-21-18(24)13-19(27-22(21)25)15-7-9-16(10-8-15)26-12-11-23/h3-10,13-14,25H,12H2,1-2H3