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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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