(4Z)-4-{7-[(Z)-(3-Ethyl-1,3-Benzothiazol-2(3H)-Ylidene)Methyl]-4,4A,5,6-Tetrahydro-2(3H)-Naphthalenylidene}-5-Methyl-2-Phenyl-2,4-Dihydro-3H-Pyrazol-3-One
[CAS# 20749-78-4]

Identification

• Name: (4Z)-4-{7-[(Z)-(3-Ethyl-1,3-Benzothiazol-2(3H)-Ylidene)Methyl]-4,4A,5,6-Tetrahydro-2(3H)-Naphthalenylidene}-5-Methyl-2-Phenyl-2,4-Dihydro-3H-Pyrazol-3-One
• Synonyms: 2-Pyrazolin-5-one, 4-[7-[(3-ethyl-2-benzothiazolinylidene)methyl]-4,4a,5,6-tetrahydro-2(3H)-naphthylidene]-3-methyl-1-phenyl- (8CI); 4-[7-{[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-4,4a,5,6-tetrahydro-2(3H)-naphthalenylidene]-3-methyl-1-phenyl-1H-pyrazol-5-one
• Molecular Formula: C₃₀H₂₉N₃OS
• Molecular Weight: 479.64
• CAS Registry Number: 20749-78-4
• SMILES: CCN1c2ccccc2SC1=CC3=CC4=CC(=C5C(=NN(C5=O)c6ccccc6)C)CCC4CC3
• InChI: 1S/C30H29N3OS/c1-3-32-26-11-7-8-12-27(26)35-28(32)18-21-13-14-22-15-16-23(19-24(22)17-21)29-20(2)31-33(30(29)34)25-9-5-4-6-10-25/h4-12,17-19,22H,3,13-16H2,1-2H3/b28-18-,29-23-
• InChIKey: HTODDHBUXVVCJR-ZAKWLAKTSA-N

Properties

• Density: 1.261g/cm³ (Cal.)
• Boiling point: 590.099°C at 760 mmHg (Cal.)
• Flash point: 310.681°C (Cal.)
• Refractive index: 1.686 (Cal.)