S-[[5-[(4E)-4-(1H-Indol-3-Ylmethylidene)-2-Methyl-5-Oxoimidazol-1-Yl]-1,3,4-Thiadiazol-2-Yl]] 2-[(2-Methylphenyl)Amino]Ethanethioate
[CAS# 127227-38-7]

Identification

• Name: S-[[5-[(4E)-4-(1H-Indol-3-Ylmethylidene)-2-Methyl-5-Oxoimidazol-1-Yl]-1,3,4-Thiadiazol-2-Yl]] 2-[(2-Methylphenyl)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-[(2-Methylphenyl)Amino]Ethanethioate; 2-[(2-Methylphenyl)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-[(2-Methylphenyl)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: C₂₄H₂₀N₆O₂S₂
• Molecular Weight: 488.58
• CAS Registry Number: 127227-38-7
• SMILES: C1=C(C(=CC=C1)NCC(=O)SC2=NN=C(S2)N3C(=NC(/C3=O)=C/C4=C[NH]C5=C4C=CC=C5)C)C
• InChI: 1S/C24H20N6O2S2/c1-14-7-3-5-9-18(14)26-13-21(31)33-24-29-28-23(34-24)30-15(2)27-20(22(30)32)11-16-12-25-19-10-6-4-8-17(16)19/h3-12,25-26H,13H2,1-2H3/b20-11+
• InChIKey: DUZLRSBBOSSRBY-RGVLZGJSSA-N

Properties

• Density: 1.471g/cm³ (Cal.)
• Boiling point: 757.288°C at 760 mmHg (Cal.)
• Flash point: 411.793°C (Cal.)