3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(3-bromo-4-methoxy-phenyl)methylsulfanylmethyl]benzonitrile CAS Name: 3-[[(3-bromo-4-methoxyphenyl)methylthio]methyl]benzonitrile IUPAC Name: 3-[(3-bromo-4-methoxyphenyl)methylsulfanylmethyl]benzonitrile Traditional Name: 3-[[(3-bromo-4-methoxy-benzyl)thio]methyl]benzonitrile Formula: C16H14BrNOS MolecularWeight: 348.25746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC2=CC=CC(=C2)C#N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC2=CC=CC(=C2)C#N)Br

InChI

InChI=1S/C16H14BrNOS/c1-19-16-6-5-14(8-15(16)17)11-20-10-13-4-2-3-12(7-13)9-18/h2-8H,10-11H2,1H3