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

Systemtic Name: 2-[3-chloranyl-4-[4-(3-oxidanyl-4-propanoyl-2-propyl-phenoxy)butylsulfanyl]phenyl]ethanenitrile Openeye Name: 2-[3-chloro-4-[4-(3-hydroxy-4-propanoyl-2-propyl-phenoxy)butylsulfanyl]phenyl]acetonitrile CAS Name: 2-[3-chloro-4-[4-[3-hydroxy-4-(1-oxopropyl)-2-propylphenoxy]butylthio]phenyl]acetonitrile IUPAC Name: 2-[3-chloro-4-[4-(3-hydroxy-4-propanoyl-2-propylphenoxy)butylsulfanyl]phenyl]acetonitrile Traditional Name: 2-[3-chloro-4-[4-(3-hydroxy-4-propionyl-2-propyl-phenoxy)butylthio]phenyl]acetonitrile Formula: C24H28ClNO3S MolecularWeight: 446.00202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28ClNO3S/c1-3-7-19-22(10-9-18(24(19)28)21(27)4-2)29-14-5-6-15-30-23-11-8-17(12-13-26)16-20(23)25/h8-11,16,28H,3-7,12,14-15H2,1-2H3