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

Systemtic Name: 2-[[5-(5-chloranyl-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[[5-(5-chlorobenzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-(5-chloro-2-benzofuranyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[[5-(5-chloro-1-benzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-benzyl-2-[[5-(5-chlorobenzofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)C3=CC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)C3=CC4=C(O3)C=CC(=C4)Cl

InChI

InChI=1S/C21H19ClN4O2S/c1-2-26-20(18-11-15-10-16(22)8-9-17(15)28-18)24-25-21(26)29-13-19(27)23-12-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3,(H,23,27)