2-[1-bromanyl-6-[3-(2-phenylethanoyl)-1-benzothiophen-2-yl]naphthalen-2-yl]oxyethanenitrile

Systemtic Name: 2-[1-bromanyl-6-[3-(2-phenylethanoyl)-1-benzothiophen-2-yl]naphthalen-2-yl]oxyethanenitrile Openeye Name: 2-[[1-bromo-6-[3-(2-phenylacetyl)benzothiophen-2-yl]-2-naphthyl]oxy]acetonitrile CAS Name: 2-[[1-bromo-6-[3-(1-oxo-2-phenylethyl)-1-benzothiophen-2-yl]-2-naphthalenyl]oxy]acetonitrile IUPAC Name: 2-[1-bromo-6-[3-(2-phenylacetyl)-1-benzothiophen-2-yl]naphthalen-2-yl]oxyacetonitrile Traditional Name: 2-[1-bromo-6-[3-(2-phenylacetyl)benzothiophen-2-yl]-2-naphthoxy]acetonitrile Formula: C28H18BrNO2S MolecularWeight: 512.41702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)C2=C(SC3=CC=CC=C32)C4=CC5=C(C=C4)C(=C(C=C5)OCC#N)Br

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)C2=C(SC3=CC=CC=C32)C4=CC5=C(C=C4)C(=C(C=C5)OCC#N)Br

InChI

InChI=1S/C28H18BrNO2S/c29-27-21-12-10-20(17-19(21)11-13-24(27)32-15-14-30)28-26(22-8-4-5-9-25(22)33-28)23(31)16-18-6-2-1-3-7-18/h1-13,17H,15-16H2