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

Systemtic Name: 2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodophenyl)ethanamide Openeye Name: 2-[[4-ethyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodophenyl)acetamide CAS Name: 2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(4-iodophenyl)acetamide IUPAC Name: 2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodophenyl)acetamide Traditional Name: 2-[[4-ethyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]-N-(4-iodophenyl)acetamide Formula: C19H19IN4OS MolecularWeight: 478.34983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19IN4OS/c1-3-24-18(14-6-4-5-13(2)11-14)22-23-19(24)26-12-17(25)21-16-9-7-15(20)8-10-16/h4-11H,3,12H2,1-2H3,(H,21,25)