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

Systemtic Name: 2-[[5-(3-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-ethanamide Openeye Name: 2-[[5-(3-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-acetamide CAS Name: 2-[[5-(3-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-tert-butylacetamide IUPAC Name: 2-[[5-(3-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butylacetamide Traditional Name: 2-[[5-(3-bromophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-tert-butyl-acetamide Formula: C16H21BrN4OS MolecularWeight: 397.33314

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC(C)(C)C)C2=CC(=CC=C2)Br

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC(C)(C)C)C2=CC(=CC=C2)Br

InChI

InChI=1S/C16H21BrN4OS/c1-5-21-14(11-7-6-8-12(17)9-11)19-20-15(21)23-10-13(22)18-16(2,3)4/h6-9H,5,10H2,1-4H3,(H,18,22)