Compound Identification
SMILES
CC1=CC=C(C=C1)C1=C(N(CC#N)N=C1C1=CC=C(C=C1)S(C)(=O)=O)C([O-])=O
InChIKey
InChIKey=JUAZWTLPEKPFSJ-UHFFFAOYSA-M
Formula
C20H16N3O4S
Mass
394.43
Taxonomic Classification
Taxonomy Tree
-
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
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Pyrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrazoles
Alternative Parents
Benzenesulfonyl compounds Pyrazole carboxylic acids and derivatives Toluenes Sulfones Heteroaromatic compounds Carboxylic acid salts Nitriles Carboxylic acids Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpyrazole - Benzenesulfonyl group - Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Toluene - Monocyclic benzene moiety - Benzenoid - Sulfone - Sulfonyl - Heteroaromatic compound - Carboxylic acid salt - Nitrile - Carbonitrile - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Cyanide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic anion - 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