5-Nitro-8-{[4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}quinoline
[CAS# 87236-39-3]

Identification

• Name: 5-Nitro-8-{[4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}quinoline
• Synonyms: 5-Nitro-8-((4-phenyl-5-(4-pyridyl)-4H-1,2,4-triazol-3-yl)thio)quinoline; Quinoline, 5-nitro-8-((4-phenyl-5-(4-pyridyl)-4H-1,2,4-triazol-3-yl)thio)-; BRN 5654173
• Molecular Formula: C₂₂H₁₄N₆O₂S
• Molecular Weight: 426.45
• CAS Registry Number: 87236-39-3
• SMILES: [O-][N+](=O)c5ccc(Sc1nnc(n1c2ccccc2)c3ccncc3)c4ncccc45
• InChI: 1S/C22H14N6O2S/c29-28(30)18-8-9-19(20-17(18)7-4-12-24-20)31-22-26-25-21(15-10-13-23-14-11-15)27(22)16-5-2-1-3-6-16/h1-14H
• InChIKey: MNJJGQZQQPHWAV-UHFFFAOYSA-N

Properties

• Density: 1.453g/cm³ (Cal.)
• Boiling point: 723.278°C at 760 mmHg (Cal.)
• Flash point: 391.225°C (Cal.)