2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylbutan-2-yl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylbutan-2-yl)ethanamide Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,1-dimethylpropyl)acetamide CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-methylbutan-2-yl)acetamide IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylbutan-2-yl)acetamide Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-tert-amyl-acetamide Formula: C15H20BrN5OS MolecularWeight: 398.3212

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)CSC1=NN=C(N1N)C2=CC=CC=C2Br

Isomeric SMILES

CCC(C)(C)NC(=O)CSC1=NN=C(N1N)C2=CC=CC=C2Br

InChI

InChI=1S/C15H20BrN5OS/c1-4-15(2,3)18-12(22)9-23-14-20-19-13(21(14)17)10-7-5-6-8-11(10)16/h5-8H,4,9,17H2,1-3H3,(H,18,22)