N-(4-iodophenyl)-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-iodophenyl)-2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-iodophenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-iodophenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-iodophenyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-iodophenyl)-2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C13H15IN4O2S MolecularWeight: 418.25327

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15IN4O2S/c1-2-7-18-12(20)16-17-13(18)21-8-11(19)15-10-5-3-9(14)4-6-10/h3-6H,2,7-8H2,1H3,(H,15,19)(H,16,20)