S-[[5-[(4E)-4-(1H-Indol-3-Ylmethylidene)-2-Methyl-5-Oxoimidazol-1-Yl]-1,3,4-Thiadiazol-2-Yl]] 2-[(4-Chlorophenyl)Amino]Ethanethioate
[CAS# 127227-40-1]

Identification

• Name: S-[[5-[(4E)-4-(1H-Indol-3-Ylmethylidene)-2-Methyl-5-Oxoimidazol-1-Yl]-1,3,4-Thiadiazol-2-Yl]] 2-[(4-Chlorophenyl)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-Chlorophenyl)Amino]Ethanethioate; 2-[(4-Chlorophenyl)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-Chlorophenyl)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: C₂₃H₁₇ClN₆O₂S₂
• Molecular Weight: 509.00
• CAS Registry Number: 127227-40-1
• SMILES: C1=CC(=CC=C1NCC(=O)SC2=NN=C(S2)N3C(=NC(/C3=O)=C/C4=C[NH]C5=C4C=CC=C5)C)Cl
• InChI: 1S/C23H17ClN6O2S2/c1-13-27-19(10-14-11-26-18-5-3-2-4-17(14)18)21(32)30(13)22-28-29-23(34-22)33-20(31)12-25-16-8-6-15(24)7-9-16/h2-11,25-26H,12H2,1H3/b19-10+
• InChIKey: QVQXHUVJPVDNJS-VXLYETTFSA-N

Properties

• Density: 1.56g/cm³ (Cal.)
• Boiling point: 784.767°C at 760 mmHg (Cal.)
• Flash point: 428.412°C (Cal.)