4-(2,3-Dimethylphenyl)-1-sulfanyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
[CAS# 85772-41-4]

Identification

• Name: 4-(2,3-Dimethylphenyl)-1-sulfanyl[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
• Synonyms: MFCD07366416; ZINC03888911; ZINC06590878
• Molecular Formula: C₁₇H₁₄N₄OS
• Molecular Weight: 322.38
• CAS Registry Number: 85772-41-4
• SMILES: CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4S)C
• InChI: 1S/C17H14N4OS/c1-10-6-5-9-13(11(10)2)20-15(22)12-7-3-4-8-14(12)21-16(20)18-19-17(21)23/h3-9H,1-2H3,(H,19,23)
• InChIKey: BLZLSOAYWCNFDM-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 606.5±65.0°C at 760 mmHg (Cal.)
• Flash point: 320.6±34.3°C (Cal.)