Methyl 4-Methyl-1-[7-(4-Methyl-5-Phenyl-2H-1,2,3-Triazol-2-Yl)-2-Oxo-2H-1-Benzopyran-3-Yl]-1H-1,2,4-Triazolium Sulphate
[CAS# 85204-53-1]

Identification

• Name: Methyl 4-Methyl-1-[7-(4-Methyl-5-Phenyl-2H-1,2,3-Triazol-2-Yl)-2-Oxo-2H-1-Benzopyran-3-Yl]-1H-1,2,4-Triazolium Sulphate
• Synonyms: 3-(1,4-Dimethyl-5H-1,2,4-Triazol-1-Ium-1-Yl)-7-(4-Methyl-5-Phenyl-Triazol-2-Yl)Chromen-2-One Sulfate; 3-(1,4-Dimethyl-5H-1,2,4-Triazol-1-Ium-1-Yl)-7-(4-Methyl-5-Phenyl-2-Triazolyl)-2-Chromenone Sulfate; 3-(1,4-Dimethyl-5H-1,2,4-Triazol-1-Ium-1-Yl)-7-(4-Methyl-5-Phenyl-Triazol-2-Yl)Coumarin Sulfate
• Molecular Formula: C₂₂H₂₁N₆O₆S
• Molecular Weight: 497.50
• CAS Registry Number: 85204-53-1
• EINECS: 286-341-8
• SMILES: O=[S]([O-])([O-])=O.C1=CC(=CC3=C1C=C([N+]2(N=CN(C2)C)C)C(O3)=O)[N]4N=C(C(=N4)C)C5=CC=CC=C5
• InChI: 1S/C22H21N6O2.H2O4S/c1-15-21(16-7-5-4-6-8-16)25-27(24-15)18-10-9-17-11-19(22(29)30-20(17)12-18)28(3)14-26(2)13-23-28;1-5(2,3)4/h4-13H,14H2,1-3H3;(H2,1,2,3,4)/q+1;/p-2
• InChIKey: SSCUUCJCZSKTES-UHFFFAOYSA-L