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

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[[5-(benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)acetamide CAS Name: 2-[[5-(2-benzofuranyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[[5-(benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(p-tolyl)acetamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O2S/c1-3-25-20(18-12-15-6-4-5-7-17(15)27-18)23-24-21(25)28-13-19(26)22-16-10-8-14(2)9-11-16/h4-12H,3,13H2,1-2H3,(H,22,26)