2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenyl-propanamide

Systemtic Name: 2-(1-azanyl-4-phenyl-imidazol-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenyl-propanamide Openeye Name: 2-(1-amino-4-phenyl-imidazol-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenyl-propanamide CAS Name: 2-[(1-amino-4-phenyl-2-imidazolyl)thio]-N-(2-cyanoethyl)-N-phenylpropanamide IUPAC Name: 2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(2-cyanoethyl)-N-phenylpropanamide Traditional Name: 2-[(1-amino-4-phenyl-imidazol-2-yl)thio]-N-(2-cyanoethyl)-N-phenyl-propionamide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC(=CN2N)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)SC2=NC(=CN2N)C3=CC=CC=C3

InChI

InChI=1S/C21H21N5OS/c1-16(20(27)25(14-8-13-22)18-11-6-3-7-12-18)28-21-24-19(15-26(21)23)17-9-4-2-5-10-17/h2-7,9-12,15-16H,8,14,23H2,1H3