N-(4-iodanyl-2,6-dimethyl-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide

Systemtic Name: N-(4-iodanyl-2,6-dimethyl-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamide Openeye Name: N-(4-iodo-2,6-dimethyl-phenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide CAS Name: N-(4-iodo-2,6-dimethylphenyl)-2-(1H-1,2,4-triazol-5-ylthio)acetamide IUPAC Name: N-(4-iodo-2,6-dimethylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide Traditional Name: N-(4-iodo-2,6-dimethyl-phenyl)-2-(1H-1,2,4-triazol-5-ylthio)acetamide Formula: C12H13IN4OS MolecularWeight: 388.22729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CSC2=NC=NN2)C)I

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CSC2=NC=NN2)C)I

InChI

InChI=1S/C12H13IN4OS/c1-7-3-9(13)4-8(2)11(7)16-10(18)5-19-12-14-6-15-17-12/h3-4,6H,5H2,1-2H3,(H,16,18)(H,14,15,17)