2-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]ethanenitrile

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]ethanenitrile Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]acetonitrile CAS Name: 2-[2-(1,3-benzodioxol-5-yl)ethylthio]acetonitrile IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)ethylsulfanyl]acetonitrile Traditional Name: 2-(homopiperonylthio)acetonitrile Formula: C11H11NO2S MolecularWeight: 221.27554

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCSCC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCSCC#N

InChI

InChI=1S/C11H11NO2S/c12-4-6-15-5-3-9-1-2-10-11(7-9)14-8-13-10/h1-2,7H,3,5-6,8H2