2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-N-(3-chlorophenyl)-N-(2-cyanoethyl)ethanamide

Systemtic Name: 2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-N-(3-chlorophenyl)-N-(2-cyanoethyl)ethanamide Openeye Name: 2-(1-amino-4-phenyl-imidazol-2-yl)sulfanyl-N-(3-chlorophenyl)-N-(2-cyanoethyl)acetamide CAS Name: 2-[(1-amino-4-phenyl-2-imidazolyl)thio]-N-(3-chlorophenyl)-N-(2-cyanoethyl)acetamide IUPAC Name: 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(3-chlorophenyl)-N-(2-cyanoethyl)acetamide Traditional Name: 2-[(1-amino-4-phenyl-imidazol-2-yl)thio]-N-(3-chlorophenyl)-N-(2-cyanoethyl)acetamide Formula: C20H18ClN5OS MolecularWeight: 411.90782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN(C(=N2)SCC(=O)N(CCC#N)C3=CC(=CC=C3)Cl)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CN(C(=N2)SCC(=O)N(CCC#N)C3=CC(=CC=C3)Cl)N

InChI

InChI=1S/C20H18ClN5OS/c21-16-8-4-9-17(12-16)25(11-5-10-22)19(27)14-28-20-24-18(13-26(20)23)15-6-2-1-3-7-15/h1-4,6-9,12-13H,5,11,14,23H2