4-[2-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)ethylsulfanyl]benzenecarbonitrile

Systemtic Name: 4-[2-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)ethylsulfanyl]benzenecarbonitrile Openeye Name: 4-[2-(4-acetyl-3-hydroxy-2-propyl-phenoxy)ethylsulfanyl]benzonitrile CAS Name: 4-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethylthio]benzonitrile IUPAC Name: 4-[2-(4-acetyl-3-hydroxy-2-propylphenoxy)ethylsulfanyl]benzonitrile Traditional Name: 4-[2-(4-acetyl-3-hydroxy-2-propyl-phenoxy)ethylthio]benzonitrile Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCSC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCSC2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H21NO3S/c1-3-4-18-19(10-9-17(14(2)22)20(18)23)24-11-12-25-16-7-5-15(13-21)6-8-16/h5-10,23H,3-4,11-12H2,1-2H3