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

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodanyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[[5-(benzofuran-2-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodo-2-methyl-phenyl)acetamide CAS Name: 2-[[5-(2-benzofuranyl)-4-propyl-1,2,4-triazol-3-yl]thio]-N-(4-iodo-2-methylphenyl)acetamide IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide Traditional Name: 2-[[5-(benzofuran-2-yl)-4-propyl-1,2,4-triazol-3-yl]thio]-N-(4-iodo-2-methyl-phenyl)acetamide Formula: C22H21IN4O2S MolecularWeight: 532.39721

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)I)C)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)I)C)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H21IN4O2S/c1-3-10-27-21(19-12-15-6-4-5-7-18(15)29-19)25-26-22(27)30-13-20(28)24-17-9-8-16(23)11-14(17)2/h4-9,11-12H,3,10,13H2,1-2H3,(H,24,28)