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

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(tert-butylcarbamoyl)propanamide Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(tert-butylcarbamoyl)propanamide CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-[(tert-butylamino)-oxomethyl]propanamide IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(tert-butylcarbamoyl)propanamide Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(tert-butylcarbamoyl)propionamide Formula: C16H21BrN6O2S MolecularWeight: 441.34594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)SC1=NN=C(N1N)C2=CC=CC=C2Br

Isomeric SMILES

CC(C(=O)NC(=O)NC(C)(C)C)SC1=NN=C(N1N)C2=CC=CC=C2Br

InChI

InChI=1S/C16H21BrN6O2S/c1-9(13(24)19-14(25)20-16(2,3)4)26-15-22-21-12(23(15)18)10-7-5-6-8-11(10)17/h5-9H,18H2,1-4H3,(H2,19,20,24,25)