Ethyl 2-[[5-[2-(1H-Benzimidazol-2-Yl)Ethyl]-4-Phenyl-1,2,4-Triazol-3-Yl]Sulfanyl]Acetate
[CAS# 38911-89-6]

Identification

• Name: Ethyl 2-[[5-[2-(1H-Benzimidazol-2-Yl)Ethyl]-4-Phenyl-1,2,4-Triazol-3-Yl]Sulfanyl]Acetate
• Synonyms: 2-[[5-[2-(1H-Benzimidazol-2-Yl)Ethyl]-4-Phenyl-1,2,4-Triazol-3-Yl]Thio]Acetic Acid Ethyl Ester; Ethyl 2-[[5-[2-(1H-Benzimidazol-2-Yl)Ethyl]-4-Phenyl-1,2,4-Triazol-3-Yl]Sulfanyl]Ethanoate; 5-26-19-00024 (Beilstein Handbook Reference)
• Molecular Formula: C₂₁H₂₁N₅O₂S
• Molecular Weight: 407.49
• CAS Registry Number: 38911-89-6
• SMILES: C4=C([N]1C(=NN=C1SCC(OCC)=O)CCC2=NC3=C([NH]2)C=CC=C3)C=CC=C4
• InChI: 1S/C21H21N5O2S/c1-2-28-20(27)14-29-21-25-24-19(26(21)15-8-4-3-5-9-15)13-12-18-22-16-10-6-7-11-17(16)23-18/h3-11H,2,12-14H2,1H3,(H,22,23)
• InChIKey: IJADJCLZZNQISU-UHFFFAOYSA-N

Properties

• Density: 1.343g/cm³ (Cal.)
• Boiling point: 683.24°C at 760 mmHg (Cal.)
• Flash point: 367.011°C (Cal.)