2-[[5-(4-bromanylthiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-ethanamide

Systemtic Name: 2-[[5-(4-bromanylthiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-ethanamide Openeye Name: 2-[[5-(4-bromo-2-thienyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-hexyl-acetamide CAS Name: 2-[[5-(4-bromo-2-thiophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-hexylacetamide IUPAC Name: 2-[[5-(4-bromothiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-hexylacetamide Traditional Name: 2-[[5-(4-bromo-2-thienyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-hexyl-acetamide Formula: C16H23BrN4OS2 MolecularWeight: 431.41402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NN=C(N1CC)C2=CC(=CS2)Br

Isomeric SMILES

CCCCCCNC(=O)CSC1=NN=C(N1CC)C2=CC(=CS2)Br

InChI

InChI=1S/C16H23BrN4OS2/c1-3-5-6-7-8-18-14(22)11-24-16-20-19-15(21(16)4-2)13-9-12(17)10-23-13/h9-10H,3-8,11H2,1-2H3,(H,18,22)