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

Systemtic Name: 4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propylsulfanyl]benzenecarbonitrile Openeye Name: 4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylsulfanyl]benzonitrile CAS Name: 4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]benzonitrile IUPAC Name: 4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]benzonitrile Traditional Name: 4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]benzonitrile Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO3S/c1-3-5-19-20(11-10-18(15(2)23)21(19)24)25-12-4-13-26-17-8-6-16(14-22)7-9-17/h6-11,24H,3-5,12-13H2,1-2H3