1-(4-Acetamido-3-chlorophenyl)-3-methyl-1H-1,2,4-triazol-1-ium methyl sulfate
[CAS# 71501-35-4]

Identification

• Name: 1-(4-Acetamido-3-chlorophenyl)-3-methyl-1H-1,2,4-triazol-1-ium methyl sulfate
• Synonyms: 1-[4-(acetylamino)-3-chlorophenyl]-3-methyl-1H-1,2,4-triazolium methyl sulphate
• Molecular Formula: C₁₂H₁₅ClN₄O₅S
• Molecular Weight: 362.79
• CAS Registry Number: 71501-35-4
• EINECS: 275-563-0
• SMILES: Cc1nc[n+](n1)c2cc(Cl)c(NC(C)=O)cc2.[O-]S(=O)(=O)OC
• InChI: 1S/C11H11ClN4O.CH4O4S/c1-7-13-6-16(15-7)9-3-4-11(10(12)5-9)14-8(2)17;1-5-6(2,3)4/h3-6H,1-2H3,(H,14,17);1H3,(H,2,3,4)
• InChIKey: USTUWOZDXWOJFC-UHFFFAOYSA-N