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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSCC2=CC=CC=C2C#N)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSCC2=CC=CC=C2C#N)Br)OC

InChI

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