Compound Identification
SMILES
[Na+].CCC(=O)[N-]S(=O)(=O)C1=C(CO)C=C(C=C1)N1N=C(C=C1C1=CC=C(Br)C=C1)C(F)(F)F
InChIKey
InChIKey=VAMBZKZTPKDPHO-UHFFFAOYSA-M
Formula
C20H16BrF3N3NaO4S
Mass
554.31
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
Pyrazoles
- Level 5 Phenylpyrazoles
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Subclass
Pyrazoles
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Class
Azoles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Pyrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrazoles
Alternative Parents
Benzenesulfonamides Benzenesulfonyl compounds Benzyl alcohols Bromobenzenes Aryl bromides Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Organic metal halides Carboxylic acids and derivatives Carbene-type 1,3-dipolar compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organofluorides Organonitrogen compounds Aromatic alcohols Primary alcohols Organic sodium salts Organic zwitterions Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpyrazole - Benzenesulfonamide - Benzenesulfonyl group - Benzyl alcohol - Bromobenzene - Halobenzene - Aryl halide - Aryl bromide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic metal halide - Azacycle - Organic alkali metal salt - Organic 1,3-dipolar compound - Carbene-type 1,3-dipolar compound - Carboxylic acid derivative - Alcohol - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Aromatic alcohol - Organic zwitterion - Carbonyl group - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
External Descriptors
Not available