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

Systemtic Name: 2-[3-chloranyl-4-[3-(3-oxidanyl-4-propanoyl-2-propyl-phenoxy)propylsulfanyl]phenyl]ethanenitrile Openeye Name: 2-[3-chloro-4-[3-(3-hydroxy-4-propanoyl-2-propyl-phenoxy)propylsulfanyl]phenyl]acetonitrile CAS Name: 2-[3-chloro-4-[3-[3-hydroxy-4-(1-oxopropyl)-2-propylphenoxy]propylthio]phenyl]acetonitrile IUPAC Name: 2-[3-chloro-4-[3-(3-hydroxy-4-propanoyl-2-propylphenoxy)propylsulfanyl]phenyl]acetonitrile Traditional Name: 2-[3-chloro-4-[3-(3-hydroxy-4-propionyl-2-propyl-phenoxy)propylthio]phenyl]acetonitrile Formula: C23H26ClNO3S MolecularWeight: 431.97544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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