(5Z)-3-[(Z)-(3-Ethyl-1,3-Benzothiazol-2(3H)-Ylidene)Methyl]-5-(3-Methyl-5-Oxo-1-Phenyl-1,5-Dihydro-4H-Pyrazol-4-Ylidene)-3-Cyclohexene-1-Carboxamide
[CAS# 54118-06-8]

Identification

• Name: (5Z)-3-[(Z)-(3-Ethyl-1,3-Benzothiazol-2(3H)-Ylidene)Methyl]-5-(3-Methyl-5-Oxo-1-Phenyl-1,5-Dihydro-4H-Pyrazol-4-Ylidene)-3-Cyclohexene-1-Carboxamide
• Synonyms: 3-{[3-ethyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-5-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)-3-cyclohexene-1-carboxamide; 3-Cyclohexene-1-carboxamide, 5-(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)-3-[(3-ethyl-2(3H)-benzothiazolylidene)methyl]- (9CI)
• Molecular Formula: C₂₇H₂₆N₄O₂S
• Molecular Weight: 470.59
• CAS Registry Number: 54118-06-8
• SMILES: CCN1c2ccccc2SC1=CC3=CC(=C4C(=NN(C4=O)c5ccccc5)C)CC(C3)C(=O)N
• InChI: 1S/C27H26N4O2S/c1-3-30-22-11-7-8-12-23(22)34-24(30)15-18-13-19(16-20(14-18)26(28)32)25-17(2)29-31(27(25)33)21-9-5-4-6-10-21/h4-13,15,20H,3,14,16H2,1-2H3,(H2,28,32)/b24-15-,25-19+
• InChIKey: GUIIERPBEPOMTB-FZUHJVGJSA-N

Properties

• Density: 1.327g/cm³ (Cal.)
• Boiling point: 618.464°C at 760 mmHg (Cal.)
• Flash point: 327.835°C (Cal.)