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

Systemtic Name: 2-[1-bromanyl-6-[3-(3-methylbutanoyl)-1-benzothiophen-2-yl]naphthalen-2-yl]oxyethanenitrile Openeye Name: 2-[[1-bromo-6-[3-(3-methylbutanoyl)benzothiophen-2-yl]-2-naphthyl]oxy]acetonitrile CAS Name: 2-[[1-bromo-6-[3-(3-methyl-1-oxobutyl)-1-benzothiophen-2-yl]-2-naphthalenyl]oxy]acetonitrile IUPAC Name: 2-[1-bromo-6-[3-(3-methylbutanoyl)-1-benzothiophen-2-yl]naphthalen-2-yl]oxyacetonitrile Traditional Name: 2-[1-bromo-6-(3-isovalerylbenzothiophen-2-yl)-2-naphthoxy]acetonitrile Formula: C25H20BrNO2S MolecularWeight: 478.4008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C1=C(SC2=CC=CC=C21)C3=CC4=C(C=C3)C(=C(C=C4)OCC#N)Br

Isomeric SMILES

CC(C)CC(=O)C1=C(SC2=CC=CC=C21)C3=CC4=C(C=C3)C(=C(C=C4)OCC#N)Br

InChI

InChI=1S/C25H20BrNO2S/c1-15(2)13-20(28)23-19-5-3-4-6-22(19)30-25(23)17-7-9-18-16(14-17)8-10-21(24(18)26)29-12-11-27/h3-10,14-15H,12-13H2,1-2H3