2-[3-[(4-Fluorophenyl)Methyl]-2-Methyl-5-Nitroimidazol-4-Yl]Sulfanylacetonitrile
[CAS# 77952-80-8]

Identification

• Name: 2-[3-[(4-Fluorophenyl)Methyl]-2-Methyl-5-Nitroimidazol-4-Yl]Sulfanylacetonitrile
• Synonyms: 2-[3-[(4-Fluorophenyl)Methyl]-2-Methyl-5-Nitro-Imidazol-4-Yl]Sulfanylacetonitrile; 2-[[3-[(4-Fluorophenyl)Methyl]-2-Methyl-5-Nitro-4-Imidazolyl]Thio]Acetonitrile; 2-[[3-(4-Fluorobenzyl)-2-Methyl-5-Nitro-Imidazol-4-Yl]Thio]Acetonitrile
• Molecular Formula: C₁₃H₁₁FN₄O₂S
• Molecular Weight: 306.31
• CAS Registry Number: 77952-80-8
• SMILES: C2=C(C[N]1C(=C(N=C1C)[N+]([O-])=O)SCC#N)C=CC(=C2)F
• InChI: 1S/C13H11FN4O2S/c1-9-16-12(18(19)20)13(21-7-6-15)17(9)8-10-2-4-11(14)5-3-10/h2-5H,7-8H2,1H3
• InChIKey: DGXCSLWXSPNDIJ-UHFFFAOYSA-N