2-[5-[[3-(diphenylmethyl)oxy-2-oxidanyl-propyl]sulfanylmethyl]naphthalen-1-yl]oxyethanenitrile

Systemtic Name: 2-[5-[[3-(diphenylmethyl)oxy-2-oxidanyl-propyl]sulfanylmethyl]naphthalen-1-yl]oxyethanenitrile Openeye Name: 2-[[5-[(3-benzhydryloxy-2-hydroxy-propyl)sulfanylmethyl]-1-naphthyl]oxy]acetonitrile CAS Name: 2-[[5-[[[3-(diphenylmethyl)oxy-2-hydroxypropyl]thio]methyl]-1-naphthalenyl]oxy]acetonitrile IUPAC Name: 2-[5-[(3-benzhydryloxy-2-hydroxypropyl)sulfanylmethyl]naphthalen-1-yl]oxyacetonitrile Traditional Name: 2-[5-[[(3-benzhydryloxy-2-hydroxy-propyl)thio]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=C2)OCC(CSCC3=CC=CC4=C3C=CC=C4OCC#N)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)OCC(CSCC3=CC=CC4=C3C=CC=C4OCC#N)O

InChI

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