(4Z)-4-{3-[(Z)-(3-Ethyl-1,3-Benzothiazol-2(3H)-Ylidene)Methyl]-2-Cyclohexen-1-Ylidene}-5-Methyl-2-Phenyl-2,4-Dihydro-3H-Pyrazol-3-One
[CAS# 54118-05-7]

Identification

• Name: (4Z)-4-{3-[(Z)-(3-Ethyl-1,3-Benzothiazol-2(3H)-Ylidene)Methyl]-2-Cyclohexen-1-Ylidene}-5-Methyl-2-Phenyl-2,4-Dihydro-3H-Pyrazol-3-One
• Synonyms: 3H-Pyrazol-3-one, 4-[3-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]-2-cyclohexen-1-ylidene]-2,4-dihydro-5-methyl-2-phenyl- (9CI); 4-(3-{[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-2-cyclohexen-1-ylidene)-3-methyl-1-phenyl-1H-pyrazol-5-one
• Molecular Formula: C₂₆H₂₅N₃OS
• Molecular Weight: 427.56
• CAS Registry Number: 54118-05-7
• SMILES: CCN1c2ccccc2SC1=CC3=CC(=C4C(=NN(C4=O)c5ccccc5)C)CCC3
• InChI: 1S/C26H25N3OS/c1-3-28-22-14-7-8-15-23(22)31-24(28)17-19-10-9-11-20(16-19)25-18(2)27-29(26(25)30)21-12-5-4-6-13-21/h4-8,12-17H,3,9-11H2,1-2H3/b24-17-,25-20-
• InChIKey: SMZRSLLUDOBAJR-SLPUAWSHSA-N

Properties

• Density: 1.241g/cm³ (Cal.)
• Boiling point: 517.994°C at 760 mmHg (Cal.)
• Flash point: 267.074°C (Cal.)