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

Systemtic Name: 2-[[5-(5-bromanyl-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[5-(5-bromobenzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-(5-bromo-2-benzofuranyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-(5-bromo-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[5-(5-bromobenzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C21H19BrN4O2S MolecularWeight: 471.37016

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3=CC4=C(O3)C=CC(=C4)Br

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3=CC4=C(O3)C=CC(=C4)Br

InChI

InChI=1S/C21H19BrN4O2S/c1-26-20(18-12-15-11-16(22)7-8-17(15)28-18)24-25-21(26)29-13-19(27)23-10-9-14-5-3-2-4-6-14/h2-8,11-12H,9-10,13H2,1H3,(H,23,27)