S-[[5-[(4E)-4-(1H-Indol-3-Ylmethylidene)-2-Methyl-5-Oxoimidazol-1-Yl]-1,3,4-Thiadiazol-2-Yl]] 2-[(3-Nitrophenyl)Amino]Ethanethioate
[CAS# 127227-41-2]

Identification

• Name: S-[[5-[(4E)-4-(1H-Indol-3-Ylmethylidene)-2-Methyl-5-Oxoimidazol-1-Yl]-1,3,4-Thiadiazol-2-Yl]] 2-[(3-Nitrophenyl)Amino]Ethanethioate
• Synonyms: S-[[5-[(4E)-4-(1H-Indol-3-Ylmethylene)-2-Methyl-5-Oxo-Imidazol-1-Yl]-1,3,4-Thiadiazol-2-Yl]] 2-[(3-Nitrophenyl)Amino]Ethanethioate; 2-[(3-Nitrophenyl)Amino]Ethanethioic Acid S-[[5-[(4E)-4-(1H-Indol-3-Ylmethylene)-2-Methyl-5-Oxo-1-Imidazolyl]-1,3,4-Thiadiazol-2-Yl]] Ester; 2-[(3-Nitrophenyl)Amino]Ethanethioic Acid S-[[5-[(4E)-4-(1H-Indol-3-Ylmethylene)-5-Keto-2-Methyl-Imidazol-1-Yl]-1,3,4-Thiadiazol-2-Yl]] Ester
• Molecular Formula: C₂₃H₁₇N₇O₄S₂
• Molecular Weight: 519.55
• CAS Registry Number: 127227-41-2
• SMILES: C4=C(\C=C/1N=C(N(C1=O)C2=NN=C(S2)SC(=O)CNC3=CC=CC(=C3)[N+]([O-])=O)C)C5=C([NH]4)C=CC=C5
• InChI: 1S/C23H17N7O4S2/c1-13-26-19(9-14-11-25-18-8-3-2-7-17(14)18)21(32)29(13)22-27-28-23(36-22)35-20(31)12-24-15-5-4-6-16(10-15)30(33)34/h2-11,24-25H,12H2,1H3/b19-9+
• InChIKey: ARAJASFGJMDFHH-DJKKODMXSA-N

Properties

• Density: 1.613g/cm³ (Cal.)
• Boiling point: 804.704°C at 760 mmHg (Cal.)
• Flash point: 440.469°C (Cal.)