2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(tert-butylcarbamoyl)ethanamide

Systemtic Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(tert-butylcarbamoyl)ethanamide Openeye Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(tert-butylcarbamoyl)acetamide CAS Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-[(tert-butylamino)-oxomethyl]acetamide IUPAC Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(tert-butylcarbamoyl)acetamide Traditional Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(tert-butylcarbamoyl)acetamide Formula: C15H18BrN5O2S MolecularWeight: 412.30472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)CSC1=NNC(=N1)C2=CC=CC=C2Br

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)CSC1=NNC(=N1)C2=CC=CC=C2Br

InChI

InChI=1S/C15H18BrN5O2S/c1-15(2,3)19-13(23)17-11(22)8-24-14-18-12(20-21-14)9-6-4-5-7-10(9)16/h4-7H,8H2,1-3H3,(H,18,20,21)(H2,17,19,22,23)