S-[[5-[(4E)-4-(1H-Indol-3-Ylmethylidene)-2-Methyl-5-Oxoimidazol-1-Yl]-1,3,4-Thiadiazol-2-Yl]] 2-(Naphthalen-1-Ylamino)Ethanethioate
[CAS# 127216-76-6]

Identification

• Name: S-[[5-[(4E)-4-(1H-Indol-3-Ylmethylidene)-2-Methyl-5-Oxoimidazol-1-Yl]-1,3,4-Thiadiazol-2-Yl]] 2-(Naphthalen-1-Ylamino)Ethanethioate
• Synonyms: S-[[5-[(4E)-4-(1H-Indol-3-Ylmethylene)-2-Methyl-5-Oxo-Imidazol-1-Yl]-1,3,4-Thiadiazol-2-Yl]] 2-(1-Naphthylamino)Ethanethioate; 2-(1-Naphthylamino)Ethanethioic Acid S-[[5-[(4E)-4-(1H-Indol-3-Ylmethylene)-2-Methyl-5-Oxo-1-Imidazolyl]-1,3,4-Thiadiazol-2-Yl]] Ester; 2-(1-Naphthylamino)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: C₂₇H₂₀N₆O₂S₂
• Molecular Weight: 524.61
• CAS Registry Number: 127216-76-6
• SMILES: C5=C(\C=C/1N=C(N(C1=O)C2=NN=C(S2)SC(=O)CNC3=C4C(=CC=C3)C=CC=C4)C)C6=C([NH]5)C=CC=C6
• InChI: 1S/C27H20N6O2S2/c1-16-30-23(13-18-14-28-21-11-5-4-10-20(18)21)25(35)33(16)26-31-32-27(37-26)36-24(34)15-29-22-12-6-8-17-7-2-3-9-19(17)22/h2-14,28-29H,15H2,1H3/b23-13+
• InChIKey: OSLXLKSAYIQKPA-YDZHTSKRSA-N

Properties

• Density: 1.488g/cm³ (Cal.)
• Boiling point: 808.034°C at 760 mmHg (Cal.)
• Flash point: 442.483°C (Cal.)