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

Systemtic Name: 2-[[5-(2-ethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodophenyl)ethanamide Openeye Name: 2-[[5-(2-ethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodophenyl)acetamide CAS Name: 2-[[5-(2-ethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(4-iodophenyl)acetamide IUPAC Name: 2-[[5-(2-ethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodophenyl)acetamide Traditional Name: 2-[(4-ethyl-5-o-phenetyl-1,2,4-triazol-3-yl)thio]-N-(4-iodophenyl)acetamide Formula: C20H21IN4O2S MolecularWeight: 508.37581

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)I)C3=CC=CC=C3OCC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)I)C3=CC=CC=C3OCC

InChI

InChI=1S/C20H21IN4O2S/c1-3-25-19(16-7-5-6-8-17(16)27-4-2)23-24-20(25)28-13-18(26)22-15-11-9-14(21)10-12-15/h5-12H,3-4,13H2,1-2H3,(H,22,26)