[5-Nitro-2-[(4-Phenyl-5-Sulfanylidene-1H-1,2,4-Triazol-3-Yl)Methylamino]Phenyl]-Phenylmethanone
[CAS# 111070-79-2]

Identification

• Name: [5-Nitro-2-[(4-Phenyl-5-Sulfanylidene-1H-1,2,4-Triazol-3-Yl)Methylamino]Phenyl]-Phenylmethanone
• Synonyms: [5-Nitro-2-[(4-Phenyl-5-Thioxo-1H-1,2,4-Triazol-3-Yl)Methylamino]Phenyl]-Phenyl-Methanone; [5-Nitro-2-[(4-Phenyl-5-Thioxo-1H-1,2,4-Triazol-3-Yl)Methylamino]Phenyl]-Phenylmethanone; [5-Nitro-2-[(4-Phenyl-5-Sulfanylidene-1H-1,2,4-Triazol-3-Yl)Methylamino]Phenyl]-Phenyl-Methanone
• Molecular Formula: C₂₂H₁₇N₅O₃S
• Molecular Weight: 431.47
• CAS Registry Number: 111070-79-2
• SMILES: C1=CC=CC=C1C(=O)C2=CC(=CC=C2NCC3=NNC(N3C4=CC=CC=C4)=S)[N+](=O)[O-]
• InChI: 1S/C22H17N5O3S/c28-21(15-7-3-1-4-8-15)18-13-17(27(29)30)11-12-19(18)23-14-20-24-25-22(31)26(20)16-9-5-2-6-10-16/h1-13,23H,14H2,(H,25,31)
• InChIKey: MAPDIPUVFZFIHF-UHFFFAOYSA-N

Properties

• Density: 1.398g/cm³ (Cal.)
• Boiling point: 647.795°C at 760 mmHg (Cal.)
• Flash point: 345.574°C (Cal.)