S-[[5-[(4E)-4-(1H-Indol-3-Ylmethylidene)-2-Methyl-5-Oxoimidazol-1-Yl]-1,3,4-Thiadiazol-2-Yl]] 2-[(4-Methoxyphenyl)Amino]Ethanethioate
[CAS# 127227-42-3]

Identification

• Name: S-[[5-[(4E)-4-(1H-Indol-3-Ylmethylidene)-2-Methyl-5-Oxoimidazol-1-Yl]-1,3,4-Thiadiazol-2-Yl]] 2-[(4-Methoxyphenyl)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-[(4-Methoxyphenyl)Amino]Ethanethioate; 2-[(4-Methoxyphenyl)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-[(4-Methoxyphenyl)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: C₂₄H₂₀N₆O₃S₂
• Molecular Weight: 504.58
• CAS Registry Number: 127227-42-3
• SMILES: C1=CC(=CC=C1NCC(=O)SC2=NN=C(S2)N3C(=NC(/C3=O)=C/C4=C[NH]C5=C4C=CC=C5)C)OC
• InChI: 1S/C24H20N6O3S2/c1-14-27-20(11-15-12-26-19-6-4-3-5-18(15)19)22(32)30(14)23-28-29-24(35-23)34-21(31)13-25-16-7-9-17(33-2)10-8-16/h3-12,25-26H,13H2,1-2H3/b20-11+
• InChIKey: MBKHDUCVWBSHBX-RGVLZGJSSA-N

Properties

• Density: 1.49g/cm³ (Cal.)
• Boiling point: 775.717°C at 760 mmHg (Cal.)
• Flash point: 422.939°C (Cal.)