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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20BrNO2S/c1-2-3-7-20(28)23-19-6-4-5-8-22(19)30-25(23)17-9-11-18-16(15-17)10-12-21(24(18)26)29-14-13-27/h4-6,8-12,15H,2-3,7,14H2,1H3