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

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-iodanylphenyl)ethanamide Openeye Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-iodophenyl)acetamide CAS Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-(3-iodophenyl)acetamide IUPAC Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-iodophenyl)acetamide Traditional Name: 2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-(3-iodophenyl)acetamide Formula: C14H17IN4O2S MolecularWeight: 432.27985

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)NC2=CC(=CC=C2)I

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)NC2=CC(=CC=C2)I

InChI

InChI=1S/C14H17IN4O2S/c1-2-3-7-19-13(21)17-18-14(19)22-9-12(20)16-11-6-4-5-10(15)8-11/h4-6,8H,2-3,7,9H2,1H3,(H,16,20)(H,17,21)