2-[[5-(5-bromanyl-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide

Systemtic Name: 2-[[5-(5-bromanyl-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[5-(5-bromobenzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[5-(5-bromo-2-benzofuranyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[5-(5-bromo-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[5-(5-bromobenzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-acetamide Formula: C20H23BrN4O2S MolecularWeight: 463.39122

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2CCCCC2)C3=CC4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C20H23BrN4O2S/c1-2-25-19(17-11-13-10-14(21)8-9-16(13)27-17)23-24-20(25)28-12-18(26)22-15-6-4-3-5-7-15/h8-11,15H,2-7,12H2,1H3,(H,22,26)