2-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(4-bromo-2,5-dimethoxy-phenyl)methylsulfanylmethyl]benzonitrile CAS Name: 2-[[(4-bromo-2,5-dimethoxyphenyl)methylthio]methyl]benzonitrile IUPAC Name: 2-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanylmethyl]benzonitrile Traditional Name: 2-[[(4-bromo-2,5-dimethoxy-benzyl)thio]methyl]benzonitrile Formula: C17H16BrNO2S MolecularWeight: 378.28344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CSCC2=CC=CC=C2C#N)OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1CSCC2=CC=CC=C2C#N)OC)Br

InChI

InChI=1S/C17H16BrNO2S/c1-20-16-8-15(18)17(21-2)7-14(16)11-22-10-13-6-4-3-5-12(13)9-19/h3-8H,10-11H2,1-2H3