N-(4-iodanyl-2,6-dimethyl-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-iodanyl-2,6-dimethyl-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-iodo-2,6-dimethyl-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-iodo-2,6-dimethylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-iodo-2,6-dimethylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-iodo-2,6-dimethyl-phenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C13H15IN4OS MolecularWeight: 402.25387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CSC2=NN=CN2C)C)I

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CSC2=NN=CN2C)C)I

InChI

InChI=1S/C13H15IN4OS/c1-8-4-10(14)5-9(2)12(8)16-11(19)6-20-13-17-15-7-18(13)3/h4-5,7H,6H2,1-3H3,(H,16,19)