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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C)Br)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C)Br)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H19BrN4O2S/c1-3-26-20(18-10-14-6-4-5-7-17(14)28-18)24-25-21(26)29-12-19(27)23-15-9-8-13(2)16(22)11-15/h4-11H,3,12H2,1-2H3,(H,23,27)