3-[3-[(4-Methoxy-3-Nitrophenyl)Methyl]-2-Methyl-5-Nitroimidazol-4-Yl]Sulfanylpropanenitrile
[CAS# 110579-04-9]

Identification

• Name: 3-[3-[(4-Methoxy-3-Nitrophenyl)Methyl]-2-Methyl-5-Nitroimidazol-4-Yl]Sulfanylpropanenitrile
• Synonyms: 3-[3-[(4-Methoxy-3-Nitro-Phenyl)Methyl]-2-Methyl-5-Nitro-Imidazol-4-Yl]Sulfanylpropanenitrile; 3-[[3-[(4-Methoxy-3-Nitrophenyl)Methyl]-2-Methyl-5-Nitro-4-Imidazolyl]Thio]Propanenitrile; 3-[[3-(4-Methoxy-3-Nitro-Benzyl)-2-Methyl-5-Nitro-Imidazol-4-Yl]Thio]Propionitrile
• Molecular Formula: C₁₅H₁₅N₅O₅S
• Molecular Weight: 377.37
• CAS Registry Number: 110579-04-9
• SMILES: C2=C(C[N]1C(=C(N=C1C)[N+]([O-])=O)SCCC#N)C=CC(=C2[N+]([O-])=O)OC
• InChI: 1S/C15H15N5O5S/c1-10-17-14(20(23)24)15(26-7-3-6-16)18(10)9-11-4-5-13(25-2)12(8-11)19(21)22/h4-5,8H,3,7,9H2,1-2H3
• InChIKey: UPFKFKSSGOXYDM-UHFFFAOYSA-N