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

Systemtic Name: 2-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]phenyl]ethanenitrile Openeye Name: 2-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]phenyl]acetonitrile CAS Name: 2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]phenyl]acetonitrile IUPAC Name: 2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]phenyl]acetonitrile Traditional Name: 2-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]phenyl]acetonitrile Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=CC=C(C=C2)CC#N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C22H25NO3S/c1-3-5-20-21(11-10-19(16(2)24)22(20)25)26-14-4-15-27-18-8-6-17(7-9-18)12-13-23/h6-11,25H,3-5,12,14-15H2,1-2H3