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

Systemtic Name: 2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodanyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodo-2-methyl-phenyl)acetamide CAS Name: 2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-iodo-2-methylphenyl)acetamide IUPAC Name: 2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide Traditional Name: 2-[[4-ethyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-iodo-2-methyl-phenyl)acetamide Formula: C20H21IN4O2S MolecularWeight: 508.37581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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