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

Systemtic Name: 2-[3-chloranyl-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]-3-chloro-phenyl]acetonitrile CAS Name: 2-[4-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylthio]-3-chlorophenyl]acetonitrile IUPAC Name: 2-[4-[4-(4-acetyl-3-hydroxy-2-propylphenoxy)butylsulfanyl]-3-chlorophenyl]acetonitrile Traditional Name: 2-[4-[4-(4-acetyl-3-hydroxy-2-propyl-phenoxy)butylthio]-3-chloro-phenyl]acetonitrile Formula: C23H26ClNO3S MolecularWeight: 431.97544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClNO3S/c1-3-6-19-21(9-8-18(16(2)26)23(19)27)28-13-4-5-14-29-22-10-7-17(11-12-25)15-20(22)24/h7-10,15,27H,3-6,11,13-14H2,1-2H3