4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylsulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(4-ethanoyl-3-oxidanyl-2-propyl-phenyl)methylsulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(4-acetyl-3-hydroxy-2-propyl-phenyl)methylsulfanylmethyl]benzonitrile CAS Name: 4-[[(4-acetyl-3-hydroxy-2-propylphenyl)methylthio]methyl]benzonitrile IUPAC Name: 4-[(4-acetyl-3-hydroxy-2-propylphenyl)methylsulfanylmethyl]benzonitrile Traditional Name: 4-[[(4-acetyl-3-hydroxy-2-propyl-benzyl)thio]methyl]benzonitrile Formula: C20H21NO2S MolecularWeight: 339.45124

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)CSCC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)CSCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H21NO2S/c1-3-4-19-17(9-10-18(14(2)22)20(19)23)13-24-12-16-7-5-15(11-21)6-8-16/h5-10,23H,3-4,12-13H2,1-2H3