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

Systemtic Name: 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-ethanamide Openeye Name: 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-acetamide CAS Name: 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-tert-butylacetamide IUPAC Name: 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butylacetamide Traditional Name: 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-tert-butyl-acetamide Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H21BrN4OS/c1-20(2,3)22-17(26)13-27-19-24-23-18(14-9-11-15(21)12-10-14)25(19)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,22,26)