2-[(4-azanyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodanyl-2-methyl-phenyl)ethanamide

Systemtic Name: 2-[(4-azanyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodanyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodo-2-methyl-phenyl)acetamide CAS Name: 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]-N-(4-iodo-2-methylphenyl)acetamide IUPAC Name: 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-iodo-2-methylphenyl)acetamide Traditional Name: 2-[(4-amino-5-propyl-1,2,4-triazol-3-yl)thio]-N-(4-iodo-2-methyl-phenyl)acetamide Formula: C14H18IN5OS MolecularWeight: 431.29509

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1N)SCC(=O)NC2=C(C=C(C=C2)I)C

Isomeric SMILES

CCCC1=NN=C(N1N)SCC(=O)NC2=C(C=C(C=C2)I)C

InChI

InChI=1S/C14H18IN5OS/c1-3-4-12-18-19-14(20(12)16)22-8-13(21)17-11-6-5-10(15)7-9(11)2/h5-7H,3-4,8,16H2,1-2H3,(H,17,21)