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

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodophenyl)ethanamide Openeye Name: 2-[[5-(benzofuran-2-yl)-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodophenyl)acetamide CAS Name: 2-[[5-(2-benzofuranyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]-N-(4-iodophenyl)acetamide IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodophenyl)acetamide Traditional Name: 2-[[5-(benzofuran-2-yl)-4-isopropyl-1,2,4-triazol-3-yl]thio]-N-(4-iodophenyl)acetamide Formula: C21H19IN4O2S MolecularWeight: 518.37063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)I)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC(C)N1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)I)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H19IN4O2S/c1-13(2)26-20(18-11-14-5-3-4-6-17(14)28-18)24-25-21(26)29-12-19(27)23-16-9-7-15(22)8-10-16/h3-11,13H,12H2,1-2H3,(H,23,27)