Compound Identification
SMILES
CCOC(=O)CC(=O)CSC1=CC(C)=NC2=C(C(C)=NN12)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=PTTSAIOJSNGFNP-UHFFFAOYSA-N
Formula
C20H20ClN3O3S
Mass
417.91
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
Pyrazolo[1,5-a]pyrimidines Alkylarylthioethers Fatty acid esters Chlorobenzenes Beta-keto acids and derivatives Pyrimidines and pyrimidine derivatives 1,3-dicarbonyl compounds Aryl chlorides Heteroaromatic compounds Ketones Carboxylic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpyrazole - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Aryl thioether - Beta-keto acid - Chlorobenzene - Fatty acid ester - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Keto acid - Pyrimidine - 1,3-dicarbonyl compound - Benzenoid - Fatty acyl - Heteroaromatic compound - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Sulfenyl compound - Thioether - Azacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Aromatic heteropolycyclic 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