4-({[4-Cyclopropyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzonitrile
[CAS# 710279-69-9]

Identification

• Name: 4-({[4-Cyclopropyl-5-(4-methyl-1,2,3-thiadiazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)benzonitrile
• Synonyms: BENZONITRILE,4-[2-[[4-CYCLOPROPYL-5-(4-METHYL-1,2,3-THIADIAZOL-5-YL)-4H-1,2,4-TRIAZOL-3-YL]THIO]ACETYL]-; ZINC04334309
• Molecular Formula: C₁₇H₁₄N₆OS₂
• Molecular Weight: 382.46
• CAS Registry Number: 710279-69-9
• SMILES: CC1=C(SN=N1)C2=NN=C(N2C3CC3)SCC(=O)C4=CC=C(C=C4)C#N
• InChI: 1S/C17H14N6OS2/c1-10-15(26-22-19-10)16-20-21-17(23(16)13-6-7-13)25-9-14(24)12-4-2-11(8-18)3-5-12/h2-5,13H,6-7,9H2,1H3
• InChIKey: HAFWJMVLAFUSMR-UHFFFAOYSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 680.2±65.0°C at 760 mmHg (Cal.)
• Flash point: 365.1±34.3°C (Cal.)
• Refractive index: 1.808 (Cal.)