4-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanylmethyl]benzonitrile CAS Name: 4-[[(6-bromo-1,3-benzodioxol-5-yl)methylthio]methyl]benzonitrile IUPAC Name: 4-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanylmethyl]benzonitrile Traditional Name: 4-[[(6-bromo-1,3-benzodioxol-5-yl)methylthio]methyl]benzonitrile Formula: C16H12BrNO2S MolecularWeight: 362.24098

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSCC3=CC=C(C=C3)C#N)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSCC3=CC=C(C=C3)C#N)Br

InChI

InChI=1S/C16H12BrNO2S/c17-14-6-16-15(19-10-20-16)5-13(14)9-21-8-12-3-1-11(7-18)2-4-12/h1-6H,8-10H2