2-[6-[2-(2-oxidanylidene-5-sulfanylidene-pyrrolidin-1-yl)ethyl]-1,3-benzodioxol-5-yl]ethanenitrile

Systemtic Name: 2-[6-[2-(2-oxidanylidene-5-sulfanylidene-pyrrolidin-1-yl)ethyl]-1,3-benzodioxol-5-yl]ethanenitrile Openeye Name: 2-[6-[2-(2-oxo-5-thioxo-pyrrolidin-1-yl)ethyl]-1,3-benzodioxol-5-yl]acetonitrile CAS Name: 2-[6-[2-(2-oxo-5-sulfanylidene-1-pyrrolidinyl)ethyl]-1,3-benzodioxol-5-yl]acetonitrile IUPAC Name: 2-[6-[2-(2-oxo-5-sulfanylidenepyrrolidin-1-yl)ethyl]-1,3-benzodioxol-5-yl]acetonitrile Traditional Name: 2-[6-[2-(2-keto-5-thioxo-pyrrolidino)ethyl]-1,3-benzodioxol-5-yl]acetonitrile Formula: C15H14N2O3S MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=S)N(C1=O)CCC2=CC3=C(C=C2CC#N)OCO3

Isomeric SMILES

C1CC(=S)N(C1=O)CCC2=CC3=C(C=C2CC#N)OCO3

InChI

InChI=1S/C15H14N2O3S/c16-5-3-10-7-12-13(20-9-19-12)8-11(10)4-6-17-14(18)1-2-15(17)21/h7-8H,1-4,6,9H2