5-(4-Acetamidophenyl)-3-Ureido-S-Triazole Hemihydrate
[CAS# 69226-78-4]

Identification

• Name: 5-(4-Acetamidophenyl)-3-Ureido-S-Triazole Hemihydrate
• Synonyms: N-[4-(5-Ureido-2H-1,2,4-Triazol-3-Yl)Phenyl]Acetamide; N-[4-(5-Ureido-2H-1,2,4-Triazol-3-Yl)Phenyl]Acetamide; Hydrate; N-[4-[5-(Aminocarbonylamino)-2H-1,2,4-Triazol-3-Yl]Phenyl]Ethanamide; N-[4-[5-(Aminocarbonylamino)-2H-1,2,4-Triazol-3-Yl]Phenyl]Ethanamide; Hydrate
• Molecular Formula: C₂₂H₂₆N₁₂O₅
• Molecular Weight: 538.52
• CAS Registry Number: 69226-78-4
• SMILES: C2=C(C1=NC(=N[NH]1)NC(=O)N)C=CC(=C2)NC(=O)C.C4=C(C3=NC(=N[NH]3)NC(=O)N)C=CC(=C4)NC(=O)C.O
• InChI: 1S/2C11H12N6O2.H2O/c2*1-6(18)13-8-4-2-7(3-5-8)9-14-11(17-16-9)15-10(12)19;/h2*2-5H,1H3,(H,13,18)(H4,12,14,15,16,17,19);1H2
• InChIKey: CIYJQKNQFURUHV-UHFFFAOYSA-N