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

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: 2-[[5-(benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-benzyl-acetamide CAS Name: 2-[[5-(2-benzofuranyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-benzylacetamide Traditional Name: 2-[[5-(benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-benzyl-acetamide Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C20H18N4O2S/c1-24-19(17-11-15-9-5-6-10-16(15)26-17)22-23-20(24)27-13-18(25)21-12-14-7-3-2-4-8-14/h2-11H,12-13H2,1H3,(H,21,25)