1-(4-Chlorobenzoyl)-2-Phenyl-3-[(1H-Tetrazol-5-Yl)Methylthio]-1H-Indole
[CAS# 66354-91-4]

Identification

• Name: 1-(4-Chlorobenzoyl)-2-Phenyl-3-[(1H-Tetrazol-5-Yl)Methylthio]-1H-Indole
• Synonyms: (4-Chlorophenyl)-[2-Phenyl-3-(2H-Tetrazol-5-Ylmethylthio)-1-Indolyl]Methanone; (4-Chlorophenyl)-[2-Phenyl-3-(2H-Tetrazol-5-Ylmethylthio)Indol-1-Yl]Methanone; (4-Chlorophenyl)-[2-Phenyl-3-(2H-1,2,3,4-Tetrazol-5-Ylmethylsulfanyl)Indol-1-Yl]Methanone
• Molecular Formula: C₂₃H₁₆ClN₅OS
• Molecular Weight: 445.93
• CAS Registry Number: 66354-91-4
• SMILES: C3=C2[N](C(=C(SCC1=N[NH]N=N1)C2=CC=C3)C4=CC=CC=C4)C(=O)C5=CC=C(Cl)C=C5
• InChI: 1S/C23H16ClN5OS/c24-17-12-10-16(11-13-17)23(30)29-19-9-5-4-8-18(19)22(31-14-20-25-27-28-26-20)21(29)15-6-2-1-3-7-15/h1-13H,14H2,(H,25,26,27,28)
• InChIKey: RWTNVULKVQQHIR-UHFFFAOYSA-N

Properties

• Density: 1.435g/cm³ (Cal.)
• Boiling point: 612.274°C at 760 mmHg (Cal.)
• Flash point: 324.092°C (Cal.)