Ethyl 2-[[5-[2-(1H-Benzimidazol-2-Yl)Ethyl]-4-Prop-2-Enyl-1,2,4-Triazol-3-Yl]Sulfanyl]Acetate
[CAS# 38911-94-3]

Identification

• Name: Ethyl 2-[[5-[2-(1H-Benzimidazol-2-Yl)Ethyl]-4-Prop-2-Enyl-1,2,4-Triazol-3-Yl]Sulfanyl]Acetate
• Synonyms: Ethyl 2-[[4-Allyl-5-[2-(1H-Benzimidazol-2-Yl)Ethyl]-1,2,4-Triazol-3-Yl]Sulfanyl]Acetate; 2-[[4-Allyl-5-[2-(1H-Benzimidazol-2-Yl)Ethyl]-1,2,4-Triazol-3-Yl]Thio]Acetic Acid Ethyl Ester; Ethyl 2-[[5-[2-(1H-Benzimidazol-2-Yl)Ethyl]-4-Prop-2-Enyl-1,2,4-Triazol-3-Yl]Sulfanyl]Ethanoate
• Molecular Formula: C₁₈H₂₁N₅O₂S
• Molecular Weight: 371.46
• CAS Registry Number: 38911-94-3
• SMILES: C3=C2N=C(CCC1=NN=C(SCC(=O)OCC)[N]1CC=C)[NH]C2=CC=C3
• InChI: 1S/C18H21N5O2S/c1-3-11-23-16(21-22-18(23)26-12-17(24)25-4-2)10-9-15-19-13-7-5-6-8-14(13)20-15/h3,5-8H,1,4,9-12H2,2H3,(H,19,20)
• InChIKey: XDHNUBLHWIMUKK-UHFFFAOYSA-N

Properties

• Density: 1.313g/cm³ (Cal.)
• Boiling point: 633.018°C at 760 mmHg (Cal.)
• Flash point: 336.638°C (Cal.)