2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyano-3-methyl-butan-2-yl)ethanamide

Systemtic Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyano-3-methyl-butan-2-yl)ethanamide Openeye Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyano-1,2-dimethyl-propyl)acetamide CAS Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-cyano-3-methylbutan-2-yl)acetamide IUPAC Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyano-3-methylbutan-2-yl)acetamide Traditional Name: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(1-cyano-1,2-dimethyl-propyl)acetamide Formula: C16H18BrN5OS MolecularWeight: 408.31602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H18BrN5OS/c1-10(2)16(3,9-18)20-13(23)8-24-15-19-14(21-22-15)11-4-6-12(17)7-5-11/h4-7,10H,8H2,1-3H3,(H,20,23)(H,19,21,22)