2-[5-[1-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]sulfanylethyl]naphthalen-1-yl]oxyethanenitrile

Systemtic Name: 2-[5-[1-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]sulfanylethyl]naphthalen-1-yl]oxyethanenitrile Openeye Name: 2-[[5-[1-[3-(4-chlorophenoxy)-2-hydroxy-propyl]sulfanylethyl]-1-naphthyl]oxy]acetonitrile CAS Name: 2-[[5-[1-[[3-(4-chlorophenoxy)-2-hydroxypropyl]thio]ethyl]-1-naphthalenyl]oxy]acetonitrile IUPAC Name: 2-[5-[1-[3-(4-chlorophenoxy)-2-hydroxypropyl]sulfanylethyl]naphthalen-1-yl]oxyacetonitrile Traditional Name: 2-[5-[1-[[3-(4-chlorophenoxy)-2-hydroxy-propyl]thio]ethyl]-1-naphthoxy]acetonitrile Formula: C23H22ClNO3S MolecularWeight: 427.94368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=C1C=CC=C2OCC#N)SCC(COC3=CC=C(C=C3)Cl)O

Isomeric SMILES

CC(C1=CC=CC2=C1C=CC=C2OCC#N)SCC(COC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C23H22ClNO3S/c1-16(29-15-18(26)14-28-19-10-8-17(24)9-11-19)20-4-2-6-22-21(20)5-3-7-23(22)27-13-12-25/h2-11,16,18,26H,13-15H2,1H3