Ethyl 2-[[5-[2-(1H-Benzimidazol-2-Yl)Ethyl]-4-(4-Methoxyphenyl)-1,2,4-Triazol-3-Yl]Sulfanyl]Acetate
[CAS# 38911-92-1]

Identification

• Name: Ethyl 2-[[5-[2-(1H-Benzimidazol-2-Yl)Ethyl]-4-(4-Methoxyphenyl)-1,2,4-Triazol-3-Yl]Sulfanyl]Acetate
• Synonyms: 2-[[5-[2-(1H-Benzimidazol-2-Yl)Ethyl]-4-(4-Methoxyphenyl)-1,2,4-Triazol-3-Yl]Thio]Acetic Acid Ethyl Ester; Ethyl 2-[[5-[2-(1H-Benzimidazol-2-Yl)Ethyl]-4-(4-Methoxyphenyl)-1,2,4-Triazol-3-Yl]Sulfanyl]Ethanoate; Acetic Acid, ((5-(2-(1H-Benzimidazol-2-Yl)Ethyl)-4-(P-Methoxyphenyl)-4H-1,2,4-Tr
• Molecular Formula: C₂₂H₂₃N₅O₃S
• Molecular Weight: 437.52
• CAS Registry Number: 38911-92-1
• SMILES: C4=C([N]1C(=NN=C1SCC(OCC)=O)CCC2=NC3=C([NH]2)C=CC=C3)C=CC(=C4)OC
• InChI: 1S/C22H23N5O3S/c1-3-30-21(28)14-31-22-26-25-20(27(22)15-8-10-16(29-2)11-9-15)13-12-19-23-17-6-4-5-7-18(17)24-19/h4-11H,3,12-14H2,1-2H3,(H,23,24)
• InChIKey: VSPKPLBTTMXWDN-UHFFFAOYSA-N

Properties

• Density: 1.346g/cm³ (Cal.)
• Boiling point: 705.243°C at 760 mmHg (Cal.)
• Flash point: 380.317°C (Cal.)