5-{[2-Oxo-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanyl}-4-(3-pyridinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
[CAS# 712270-97-8]

Identification

• Name: 5-{[2-Oxo-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanyl}-4-(3-pyridinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
• Synonyms: 3H-1,2,4-TRIAZOL-3-ONE,2,4-DIHYDRO-5-[[2-OXO-2-(3-PHENYL-5-ISOXAZOLYL)ETHYL]THIO]-4-(3-PYRIDINYL)-; ZINC01034234
• Molecular Formula: C₁₈H₁₃N₅O₃S
• Molecular Weight: 379.39
• CAS Registry Number: 712270-97-8
• SMILES: O=C2N(c1cccnc1)C(=N\N2)/SCC(=O)c4onc(c3ccccc3)c4
• InChI: 1S/C18H13N5O3S/c24-15(16-9-14(22-26-16)12-5-2-1-3-6-12)11-27-18-21-20-17(25)23(18)13-7-4-8-19-10-13/h1-10H,11H2,(H,20,25)
• InChIKey: PLRYPBKVAPGIID-UHFFFAOYSA-N

Properties

• Density: 1.497g/cm³ (Cal.)
• Boiling point: 746.7°C at 760 mmHg (Cal.)
• Flash point: 405.4°C (Cal.)
• Refractive index: 1.742 (Cal.)