[5-(3-Nitrophenyl)Sulfanyl-1-(Phenylmethyl)-4-Propan-2-Ylimidazol-2-Yl]Methyl Carbamate
[CAS# 178979-37-8]

Identification

• Name: [5-(3-Nitrophenyl)Sulfanyl-1-(Phenylmethyl)-4-Propan-2-Ylimidazol-2-Yl]Methyl Carbamate
• Synonyms: [4-Isopropyl-5-(3-Nitrophenyl)Sulfanyl-1-(Phenylmethyl)Imidazol-2-Yl]Methyl Carbamate; Carbamic Acid [4-Isopropyl-5-[(3-Nitrophenyl)Thio]-1-(Phenylmethyl)-2-Imidazolyl]Methyl Ester; Carbamic Acid [1-(Benzyl)-4-Isopropyl-5-[(3-Nitrophenyl)Thio]Imidazol-2-Yl]Methyl Ester
• Molecular Formula: C₂₁H₂₂N₄O₄S
• Molecular Weight: 426.49
• CAS Registry Number: 178979-37-8
• SMILES: C1=C([N+]([O-])=O)C=CC=C1SC2=C(N=C([N]2CC3=CC=CC=C3)COC(=O)N)C(C)C
• InChI: 1S/C21H22N4O4S/c1-14(2)19-20(30-17-10-6-9-16(11-17)25(27)28)24(12-15-7-4-3-5-8-15)18(23-19)13-29-21(22)26/h3-11,14H,12-13H2,1-2H3,(H2,22,26)
• InChIKey: ZZNIXWBTYQDWND-UHFFFAOYSA-N

Properties

• Density: 1.337g/cm³ (Cal.)
• Boiling point: 624.916°C at 760 mmHg (Cal.)
• Flash point: 331.737°C (Cal.)