2-(cyanomethylsulfanyl)-N-[(3-fluoranyl-4-methyl-phenyl)methyl]benzamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-[(3-fluoranyl-4-methyl-phenyl)methyl]benzamide Openeye Name: 2-(cyanomethylsulfanyl)-N-[(3-fluoro-4-methyl-phenyl)methyl]benzamide CAS Name: 2-(cyanomethylthio)-N-[(3-fluoro-4-methylphenyl)methyl]benzamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-[(3-fluoro-4-methylphenyl)methyl]benzamide Traditional Name: 2-(cyanomethylthio)-N-(3-fluoro-4-methyl-benzyl)benzamide Formula: C17H15FN2OS MolecularWeight: 314.377203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)C2=CC=CC=C2SCC#N)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C2=CC=CC=C2SCC#N)F

InChI

InChI=1S/C17H15FN2OS/c1-12-6-7-13(10-15(12)18)11-20-17(21)14-4-2-3-5-16(14)22-9-8-19/h2-7,10H,9,11H2,1H3,(H,20,21)