(2S,3R)-4,4-dicyano-2-ethanoyl-N-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)butanamide

Systemtic Name: (2S,3R)-4,4-dicyano-2-ethanoyl-N-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)butanamide Openeye Name: (2S,3R)-2-acetyl-4,4-dicyano-N-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)butanamide CAS Name: (2S,3R)-2-acetyl-4,4-dicyano-N-(4-fluorophenyl)-3-[4-(methylthio)phenyl]butanamide IUPAC Name: (2S,3R)-2-acetyl-4,4-dicyano-N-(4-fluorophenyl)-3-(4-methylsulfanylphenyl)butanamide Traditional Name: (2S,3R)-2-acetyl-4,4-dicyano-N-(4-fluorophenyl)-3-[4-(methylthio)phenyl]butyramide Formula: C21H18FN3O2S MolecularWeight: 395.449923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C1=CC=C(C=C1)SC)C(C#N)C#N)C(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

CC(=O)[C@H]([C@H](C1=CC=C(C=C1)SC)C(C#N)C#N)C(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C21H18FN3O2S/c1-13(26)19(21(27)25-17-7-5-16(22)6-8-17)20(15(11-23)12-24)14-3-9-18(28-2)10-4-14/h3-10,15,19-20H,1-2H3,(H,25,27)/t19-,20-/m1/s1