N-(4-cyano-3-methylsulfanyl-phenyl)-3,3,3-tris(fluoranyl)-2-oxidanyl-2-(phenylmethyl)propanamide

Systemtic Name: N-(4-cyano-3-methylsulfanyl-phenyl)-3,3,3-tris(fluoranyl)-2-oxidanyl-2-(phenylmethyl)propanamide Openeye Name: 2-benzyl-N-(4-cyano-3-methylsulfanyl-phenyl)-3,3,3-trifluoro-2-hydroxy-propanamide CAS Name: N-[4-cyano-3-(methylthio)phenyl]-3,3,3-trifluoro-2-hydroxy-2-(phenylmethyl)propanamide IUPAC Name: 2-benzyl-N-(4-cyano-3-methylsulfanylphenyl)-3,3,3-trifluoro-2-hydroxypropanamide Traditional Name: 2-benzyl-N-[4-cyano-3-(methylthio)phenyl]-3,3,3-trifluoro-2-hydroxy-propionamide Formula: C18H15F3N2O2S MolecularWeight: 380.38411

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1)NC(=O)C(CC2=CC=CC=C2)(C(F)(F)F)O)C#N

Isomeric SMILES

CSC1=C(C=CC(=C1)NC(=O)C(CC2=CC=CC=C2)(C(F)(F)F)O)C#N

InChI

InChI=1S/C18H15F3N2O2S/c1-26-15-9-14(8-7-13(15)11-22)23-16(24)17(25,18(19,20)21)10-12-5-3-2-4-6-12/h2-9,25H,10H2,1H3,(H,23,24)