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

Systemtic Name: 2-[3-chloranyl-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]-3-chloro-phenyl]acetonitrile CAS Name: 2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylthio]-3-chlorophenyl]acetonitrile IUPAC Name: 2-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propylsulfanyl]-3-chlorophenyl]acetonitrile Traditional Name: 2-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propylthio]-3-chloro-phenyl]acetonitrile Formula: C22H24ClNO3S MolecularWeight: 417.94886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClNO3S/c1-3-5-18-20(8-7-17(15(2)25)22(18)26)27-12-4-13-28-21-9-6-16(10-11-24)14-19(21)23/h6-9,14,26H,3-5,10,12-13H2,1-2H3