2-(4-cyano-2-nitro-phenyl)ethanethioate

Systemtic Name: 2-(4-cyano-2-nitro-phenyl)ethanethioate Openeye Name: 2-(4-cyano-2-nitro-phenyl)ethanethioate CAS Name: 2-(4-cyano-2-nitrophenyl)ethanethioate IUPAC Name: 2-(4-cyano-2-nitrophenyl)ethanethioate Traditional Name: 2-(4-cyano-2-nitro-phenyl)thioacetate Formula: C9H5N2O3S- MolecularWeight: 221.2126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)[N+](=O)[O-])CC(=S)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C#N)[N+](=O)[O-])CC(=S)[O-]

InChI

InChI=1S/C9H6N2O3S/c10-5-6-1-2-7(4-9(12)15)8(3-6)11(13)14/h1-3H,4H2,(H,12,15)/p-1