2-[4-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)butylsulfanyl]phenyl]ethanenitrile

Systemtic Name: 2-[4-[4-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)butylsulfanyl]phenyl]ethanenitrile Openeye Name: 2-[4-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butylsulfanyl]phenyl]acetonitrile CAS Name: 2-[4-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylthio]phenyl]acetonitrile IUPAC Name: 2-[4-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylsulfanyl]phenyl]acetonitrile Traditional Name: 2-[4-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butylthio]phenyl]acetonitrile Formula: C23H27NO3S MolecularWeight: 397.53038

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCSC2=CC=C(C=C2)CC#N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCSC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C23H27NO3S/c1-3-6-21-22(12-11-20(17(2)25)23(21)26)27-15-4-5-16-28-19-9-7-18(8-10-19)13-14-24/h7-12,26H,3-6,13,15-16H2,1-2H3