2-[5-(4-chlorophenyl)-1-(phenylmethyl)imidazol-2-yl]sulfanyl-N-(2-cyanoethyl)ethanamide

Systemtic Name: 2-[5-(4-chlorophenyl)-1-(phenylmethyl)imidazol-2-yl]sulfanyl-N-(2-cyanoethyl)ethanamide Openeye Name: 2-[1-benzyl-5-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-cyanoethyl)acetamide CAS Name: 2-[[5-(4-chlorophenyl)-1-(phenylmethyl)-2-imidazolyl]thio]-N-(2-cyanoethyl)acetamide IUPAC Name: 2-[1-benzyl-5-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-cyanoethyl)acetamide Traditional Name: 2-[[1-benzyl-5-(4-chlorophenyl)imidazol-2-yl]thio]-N-(2-cyanoethyl)acetamide Formula: C21H19ClN4OS MolecularWeight: 410.91976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=CN=C2SCC(=O)NCCC#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=CN=C2SCC(=O)NCCC#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H19ClN4OS/c22-18-9-7-17(8-10-18)19-13-25-21(28-15-20(27)24-12-4-11-23)26(19)14-16-5-2-1-3-6-16/h1-3,5-10,13H,4,12,14-15H2,(H,24,27)