Compound Identification
SMILES
[Na+].O[C@H](CCN1C(=NC(=C1C1=CC=CS1)C1=CC=C(F)C=C1)C(F)(F)F)C[C@@H](O)CC([O-])=O
InChIKey
InChIKey=YJAQBCRYWJFIRO-CTHHTMFSSA-M
Formula
C21H19F4N2NaO4S
Mass
494.44
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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Subclass
Imidazoles
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Level 5
Substituted imidazoles
- Level 6 Phenylimidazoles
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Level 5
Substituted imidazoles
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Subclass
Imidazoles
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Class
Azoles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Imidazoles
Intermediate Tree Nodes
Substituted imidazoles
Direct Parent
Phenylimidazoles
Alternative Parents
1,2,4,5-tetrasubstituted imidazoles Medium-chain hydroxy acids and derivatives Imidazolyl carboxylic acids and derivatives Medium-chain fatty acids Beta hydroxy acids and derivatives Fluorobenzenes Hydroxy fatty acids Aryl fluorides N-substituted imidazoles Thiophenes Heteroaromatic compounds Secondary alcohols Carboxylic acid salts Carboxylic acids Azacyclic compounds Organic metal halides Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Organic sodium salts Organic zwitterions Alkyl fluorides Carbonyl compounds Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylimidazole - 4-phenylimidazole - 1,2,4,5-tetrasubstituted imidazole - Medium-chain hydroxy acid - Medium-chain fatty acid - Imidazolyl carboxylic acid derivative - Beta-hydroxy acid - Hydroxy fatty acid - Halobenzene - Fluorobenzene - Fatty acid - Aryl fluoride - Benzenoid - N-substituted imidazole - Fatty acyl - Hydroxy acid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Carboxylic acid salt - Secondary alcohol - Organic metal halide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Azacycle - Organic alkali metal salt - Organonitrogen compound - Organic sodium salt - Organic salt - Organic zwitterion - Alcohol - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organofluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
External Descriptors
Not available