N-(cyanomethyl)-5-fluoranyl-2-[2-(4-methylsulfanylphenyl)phenyl]cyclohexane-1-carboxamide

Systemtic Name: N-(cyanomethyl)-5-fluoranyl-2-[2-(4-methylsulfanylphenyl)phenyl]cyclohexane-1-carboxamide Openeye Name: N-(cyanomethyl)-5-fluoro-2-[2-(4-methylsulfanylphenyl)phenyl]cyclohexanecarboxamide CAS Name: N-(cyanomethyl)-5-fluoro-2-[2-[4-(methylthio)phenyl]phenyl]-1-cyclohexanecarboxamide IUPAC Name: N-(cyanomethyl)-5-fluoro-2-[2-(4-methylsulfanylphenyl)phenyl]cyclohexane-1-carboxamide Traditional Name: N-(cyanomethyl)-5-fluoro-2-[2-[4-(methylthio)phenyl]phenyl]cyclohexanecarboxamide Formula: C22H23FN2OS MolecularWeight: 382.494223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CC=CC=C2C3CCC(CC3C(=O)NCC#N)F

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CC=CC=C2C3CCC(CC3C(=O)NCC#N)F

InChI

InChI=1S/C22H23FN2OS/c1-27-17-9-6-15(7-10-17)18-4-2-3-5-19(18)20-11-8-16(23)14-21(20)22(26)25-13-12-24/h2-7,9-10,16,20-21H,8,11,13-14H2,1H3,(H,25,26)