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

Systemtic Name: 2-(cyanomethylsulfanyl)-N-[[4-(4-fluoranylphenoxy)phenyl]methyl]benzamide Openeye Name: 2-(cyanomethylsulfanyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide CAS Name: 2-(cyanomethylthio)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]benzamide Traditional Name: 2-(cyanomethylthio)-N-[4-(4-fluorophenoxy)benzyl]benzamide Formula: C22H17FN2O2S MolecularWeight: 392.445983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC2=CC=C(C=C2)OC3=CC=C(C=C3)F)SCC#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC2=CC=C(C=C2)OC3=CC=C(C=C3)F)SCC#N

InChI

InChI=1S/C22H17FN2O2S/c23-17-7-11-19(12-8-17)27-18-9-5-16(6-10-18)15-25-22(26)20-3-1-2-4-21(20)28-14-13-24/h1-12H,14-15H2,(H,25,26)