S-[[5-[(4E)-4-(1H-Indol-3-Ylmethylidene)-2-Methyl-5-Oxoimidazol-1-Yl]-1,3,4-Thiadiazol-2-Yl]] 2-(Phenylamino)Ethanethioate
[CAS# 127227-37-6]

Identification

• Name: S-[[5-[(4E)-4-(1H-Indol-3-Ylmethylidene)-2-Methyl-5-Oxoimidazol-1-Yl]-1,3,4-Thiadiazol-2-Yl]] 2-(Phenylamino)Ethanethioate
• Synonyms: S-[[5-[(4E)-4-(1H-Indol-3-Ylmethylene)-2-Methyl-5-Oxo-Imidazol-1-Yl]-1,3,4-Thiadiazol-2-Yl]] 2-(Phenylamino)Ethanethioate; 2-(Phenylamino)Ethanethioic Acid S-[[5-[(4E)-4-(1H-Indol-3-Ylmethylene)-2-Methyl-5-Oxo-1-Imidazolyl]-1,3,4-Thiadiazol-2-Yl]] Ester; 2-(Phenylamino)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: C₂₃H₁₈N₆O₂S₂
• Molecular Weight: 474.55
• CAS Registry Number: 127227-37-6
• SMILES: C1=CC=CC=C1NCC(=O)SC2=NN=C(S2)N3C(=NC(/C3=O)=C/C4=C[NH]C5=C4C=CC=C5)C
• InChI: 1S/C23H18N6O2S2/c1-14-26-19(11-15-12-25-18-10-6-5-9-17(15)18)21(31)29(14)22-27-28-23(33-22)32-20(30)13-24-16-7-3-2-4-8-16/h2-12,24-25H,13H2,1H3/b19-11+
• InChIKey: GKYVCMVVHZJMOY-YBFXNURJSA-N

Properties

• Density: 1.497g/cm³ (Cal.)
• Boiling point: 753.414°C at 760 mmHg (Cal.)
• Flash point: 409.45°C (Cal.)