2-[[5-(1-benzofuran-2-yl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-ethanamide Openeye Name: 2-[[5-(benzofuran-2-yl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butyl-acetamide CAS Name: 2-[[5-(2-benzofuranyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]-N-tert-butylacetamide IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-tert-butylacetamide Traditional Name: 2-[[5-(benzofuran-2-yl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]thio]-N-tert-butyl-acetamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NN=C(N1CCCOC)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NN=C(N1CCCOC)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C20H26N4O3S/c1-20(2,3)21-17(25)13-28-19-23-22-18(24(19)10-7-11-26-4)16-12-14-8-5-6-9-15(14)27-16/h5-6,8-9,12H,7,10-11,13H2,1-4H3,(H,21,25)