2-[5-[3-[(2-hydroxyphenyl)-phenyl-methoxy]propylsulfanylmethyl]naphthalen-1-yl]oxyethanenitrile

Systemtic Name: 2-[5-[3-[(2-hydroxyphenyl)-phenyl-methoxy]propylsulfanylmethyl]naphthalen-1-yl]oxyethanenitrile Openeye Name: 2-[[5-[3-[(2-hydroxyphenyl)-phenyl-methoxy]propylsulfanylmethyl]-1-naphthyl]oxy]acetonitrile CAS Name: 2-[[5-[[3-[(2-hydroxyphenyl)-phenylmethoxy]propylthio]methyl]-1-naphthalenyl]oxy]acetonitrile IUPAC Name: 2-[5-[3-[(2-hydroxyphenyl)-phenylmethoxy]propylsulfanylmethyl]naphthalen-1-yl]oxyacetonitrile Traditional Name: 2-[5-[[3-[(2-hydroxyphenyl)-phenyl-methoxy]propylthio]methyl]-1-naphthoxy]acetonitrile Formula: C29H27NO3S MolecularWeight: 469.59458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2O)OCCCSCC3=CC=CC4=C3C=CC=C4OCC#N

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2O)OCCCSCC3=CC=CC4=C3C=CC=C4OCC#N

InChI

InChI=1S/C29H27NO3S/c30-17-19-32-28-16-7-13-24-23(11-6-14-25(24)28)21-34-20-8-18-33-29(22-9-2-1-3-10-22)26-12-4-5-15-27(26)31/h1-7,9-16,29,31H,8,18-21H2