N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-imidazol-1-yl-propanamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-imidazol-1-yl-propanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-imidazol-1-yl-propanamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-2-(1-imidazolyl)propanamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-imidazol-1-ylpropanamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-2-imidazol-1-yl-propionamide Formula: C16H18N4OS MolecularWeight: 314.40532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCSCC1=CC=CC=C1C#N)N2C=CN=C2

Isomeric SMILES

CC(C(=O)NCCSCC1=CC=CC=C1C#N)N2C=CN=C2

InChI

InChI=1S/C16H18N4OS/c1-13(20-8-6-18-12-20)16(21)19-7-9-22-11-15-5-3-2-4-14(15)10-17/h2-6,8,12-13H,7,9,11H2,1H3,(H,19,21)