2-[1-(3-chlorophenyl)-5-phenyl-imidazol-2-yl]sulfanyl-N-(2-cyanoethyl)ethanamide

Systemtic Name: 2-[1-(3-chlorophenyl)-5-phenyl-imidazol-2-yl]sulfanyl-N-(2-cyanoethyl)ethanamide Openeye Name: 2-[1-(3-chlorophenyl)-5-phenyl-imidazol-2-yl]sulfanyl-N-(2-cyanoethyl)acetamide CAS Name: 2-[[1-(3-chlorophenyl)-5-phenyl-2-imidazolyl]thio]-N-(2-cyanoethyl)acetamide IUPAC Name: 2-[1-(3-chlorophenyl)-5-phenylimidazol-2-yl]sulfanyl-N-(2-cyanoethyl)acetamide Traditional Name: 2-[[1-(3-chlorophenyl)-5-phenyl-imidazol-2-yl]thio]-N-(2-cyanoethyl)acetamide Formula: C20H17ClN4OS MolecularWeight: 396.89318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(N2C3=CC(=CC=C3)Cl)SCC(=O)NCCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(N2C3=CC(=CC=C3)Cl)SCC(=O)NCCC#N

InChI

InChI=1S/C20H17ClN4OS/c21-16-8-4-9-17(12-16)25-18(15-6-2-1-3-7-15)13-24-20(25)27-14-19(26)23-11-5-10-22/h1-4,6-9,12-13H,5,11,14H2,(H,23,26)