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

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[5-(benzofuran-2-yl)-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-(2-benzofuranyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[5-(benzofuran-2-yl)-4-isopropyl-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC(C)N1C(=NN=C1SCC(=O)NC2=CC=CC=C2)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H20N4O2S/c1-14(2)25-20(18-12-15-8-6-7-11-17(15)27-18)23-24-21(25)28-13-19(26)22-16-9-4-3-5-10-16/h3-12,14H,13H2,1-2H3,(H,22,26)