propanenitrile; 1-sulfanylpyrrolidine-2,5-dione

Systemtic Name: propanenitrile; 1-sulfanylpyrrolidine-2,5-dione Openeye Name: propanenitrile; 1-sulfanylpyrrolidine-2,5-dione CAS Name: 1-mercaptopyrrolidine-2,5-dione; propanenitrile IUPAC Name: propanenitrile; 1-sulfanylpyrrolidine-2,5-dione Traditional Name: 1-mercaptopyrrolidine-2,5-quinone; propionitrile Formula: C7H10N2O2S MolecularWeight: 186.2315

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC#N.C1CC(=O)N(C1=O)S

Isomeric SMILES

CCC#N.C1CC(=O)N(C1=O)S

InChI

InChI=1S/C4H5NO2S.C3H5N/c6-3-1-2-4(7)5(3)8;1-2-3-4/h8H,1-2H2;2H2,1H3