5-(4-ethanoyl-3-oxidanyl-2-prop-2-enyl-phenoxy)-2-(sulfanylmethyl)pentanenitrile

Systemtic Name: 5-(4-ethanoyl-3-oxidanyl-2-prop-2-enyl-phenoxy)-2-(sulfanylmethyl)pentanenitrile Openeye Name: 5-(4-acetyl-2-allyl-3-hydroxy-phenoxy)-2-(sulfanylmethyl)pentanenitrile CAS Name: 5-(4-acetyl-3-hydroxy-2-prop-2-enylphenoxy)-2-(mercaptomethyl)pentanenitrile IUPAC Name: 5-(4-acetyl-3-hydroxy-2-prop-2-enylphenoxy)-2-(sulfanylmethyl)pentanenitrile Traditional Name: 5-(4-acetyl-2-allyl-3-hydroxy-phenoxy)-2-(mercaptomethyl)valeronitrile Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=C(C=C1)OCCCC(CS)C#N)CC=C)O

Isomeric SMILES

CC(=O)C1=C(C(=C(C=C1)OCCCC(CS)C#N)CC=C)O

InChI

InChI=1S/C17H21NO3S/c1-3-5-15-16(8-7-14(12(2)19)17(15)20)21-9-4-6-13(10-18)11-22/h3,7-8,13,20,22H,1,4-6,9,11H2,2H3