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

Systemtic Name: 2-[[5-(5-chloranyl-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[5-(5-chlorobenzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-(5-chloro-2-benzofuranyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-(5-chloro-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[5-(5-chlorobenzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C22H21ClN4O2S MolecularWeight: 440.94574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3=CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3=CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C22H21ClN4O2S/c1-2-27-21(19-13-16-12-17(23)8-9-18(16)29-19)25-26-22(27)30-14-20(28)24-11-10-15-6-4-3-5-7-15/h3-9,12-13H,2,10-11,14H2,1H3,(H,24,28)