2-cyano-3,3,3-tris(fluoranyl)-2-(4-nitrophenyl)propanethioamide

Systemtic Name: 2-cyano-3,3,3-tris(fluoranyl)-2-(4-nitrophenyl)propanethioamide Openeye Name: 2-cyano-3,3,3-trifluoro-2-(4-nitrophenyl)propanethioamide CAS Name: 2-cyano-3,3,3-trifluoro-2-(4-nitrophenyl)propanethioamide IUPAC Name: 2-cyano-3,3,3-trifluoro-2-(4-nitrophenyl)propanethioamide Traditional Name: 2-cyano-3,3,3-trifluoro-2-(4-nitrophenyl)thiopropionamide Formula: C10H6F3N3O2S MolecularWeight: 289.23375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H6F3N3O2S/c11-10(12,13)9(5-14,8(15)19)6-1-3-7(4-2-6)16(17)18/h1-4H,(H2,15,19)