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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethylsulfinyl]ethanenitrile Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)ethylsulfinyl]acetonitrile CAS Name: 2-[2-(1,3-benzodioxol-5-yl)ethylsulfinyl]acetonitrile IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)ethylsulfinyl]acetonitrile Traditional Name: 2-homopiperonylsulfinylacetonitrile Formula: C11H11NO3S MolecularWeight: 237.27494

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCS(=O)CC#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCS(=O)CC#N

InChI

InChI=1S/C11H11NO3S/c12-4-6-16(13)5-3-9-1-2-10-11(7-9)15-8-14-10/h1-2,7H,3,5-6,8H2