2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-(2-cyano-3-methyl-butan-2-yl)propanamide

Systemtic Name: 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-(2-cyano-3-methyl-butan-2-yl)propanamide Openeye Name: 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-(1-cyano-1,2-dimethyl-propyl)propanamide CAS Name: 2-[[1-(4-bromophenyl)-2-imidazolyl]thio]-N-(2-cyano-3-methylbutan-2-yl)propanamide IUPAC Name: 2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-(2-cyano-3-methylbutan-2-yl)propanamide Traditional Name: 2-[[1-(4-bromophenyl)imidazol-2-yl]thio]-N-(1-cyano-1,2-dimethyl-propyl)propionamide Formula: C18H21BrN4OS MolecularWeight: 421.35454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NC=CN1C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NC=CN1C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H21BrN4OS/c1-12(2)18(4,11-20)22-16(24)13(3)25-17-21-9-10-23(17)15-7-5-14(19)6-8-15/h5-10,12-13H,1-4H3,(H,22,24)