propanenitrile; 2-sulfanylisoindole-1,3-dione

Systemtic Name: propanenitrile; 2-sulfanylisoindole-1,3-dione Openeye Name: propanenitrile; 2-sulfanylisoindoline-1,3-dione CAS Name: 2-mercaptoisoindole-1,3-dione; propanenitrile IUPAC Name: propanenitrile; 2-sulfanylisoindole-1,3-dione Traditional Name: 2-mercaptoisoindoline-1,3-quinone; propionitrile Formula: C11H10N2O2S MolecularWeight: 234.2743

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Descriptors Computed from Structure

Canonical SMILES:

CCC#N.C1=CC=C2C(=C1)C(=O)N(C2=O)S

Isomeric SMILES

CCC#N.C1=CC=C2C(=C1)C(=O)N(C2=O)S

InChI

InChI=1S/C8H5NO2S.C3H5N/c10-7-5-3-1-2-4-6(5)8(11)9(7)12;1-2-3-4/h1-4,12H;2H2,1H3