2-cyano-3-sulfanyl-N-[4-(trifluoromethyl)phenyl]butanamide

Systemtic Name: 2-cyano-3-sulfanyl-N-[4-(trifluoromethyl)phenyl]butanamide Openeye Name: 2-cyano-3-sulfanyl-N-[4-(trifluoromethyl)phenyl]butanamide CAS Name: 2-cyano-3-mercapto-N-[4-(trifluoromethyl)phenyl]butanamide IUPAC Name: 2-cyano-3-sulfanyl-N-[4-(trifluoromethyl)phenyl]butanamide Traditional Name: 2-cyano-3-mercapto-N-[4-(trifluoromethyl)phenyl]butyramide Formula: C12H11F3N2OS MolecularWeight: 288.28875

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F)S

Isomeric SMILES

CC(C(C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F)S

InChI

InChI=1S/C12H11F3N2OS/c1-7(19)10(6-16)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,7,10,19H,1H3,(H,17,18)