2-[3-(4-ethanoyl-3-oxidanyl-2-prop-2-enyl-phenoxy)propylsulfanyl]ethanenitrile

Systemtic Name: 2-[3-(4-ethanoyl-3-oxidanyl-2-prop-2-enyl-phenoxy)propylsulfanyl]ethanenitrile Openeye Name: 2-[3-(4-acetyl-2-allyl-3-hydroxy-phenoxy)propylsulfanyl]acetonitrile CAS Name: 2-[3-(4-acetyl-3-hydroxy-2-prop-2-enylphenoxy)propylthio]acetonitrile IUPAC Name: 2-[3-(4-acetyl-3-hydroxy-2-prop-2-enylphenoxy)propylsulfanyl]acetonitrile Traditional Name: 2-[3-(4-acetyl-2-allyl-3-hydroxy-phenoxy)propylthio]acetonitrile Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=C(C=C1)OCCCSCC#N)CC=C)O

Isomeric SMILES

CC(=O)C1=C(C(=C(C=C1)OCCCSCC#N)CC=C)O

InChI

InChI=1S/C16H19NO3S/c1-3-5-14-15(20-9-4-10-21-11-8-17)7-6-13(12(2)18)16(14)19/h3,6-7,19H,1,4-5,9-11H2,2H3