N-(3-iodanyl-4-methyl-phenyl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-(3-iodanyl-4-methyl-phenyl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-(3-iodo-4-methyl-phenyl)-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetamide CAS Name: N-(3-iodo-4-methylphenyl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-(3-iodo-4-methylphenyl)-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-(3-iodo-4-methyl-phenyl)-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetamide Formula: C14H17IN4OS MolecularWeight: 416.28045

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)NC2=CC(=C(C=C2)C)I

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)NC2=CC(=C(C=C2)C)I

InChI

InChI=1S/C14H17IN4OS/c1-3-4-12-17-18-14(21)19(12)8-13(20)16-10-6-5-9(2)11(15)7-10/h5-7H,3-4,8H2,1-2H3,(H,16,20)(H,18,21)