Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)C2=C(Cl)C3=C(S2)C=C(C)C=C3)N(N=C1)C1=CC=CC=C1
InChIKey
InChIKey=MZRFMCOKLBXINA-UHFFFAOYSA-N
Formula
C22H18ClN3O3S
Mass
439.91
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
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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
1-benzothiophenes 2-heteroaryl carboxamides Thiophene carboxamides Pyrazole carboxylic acids and derivatives Aryl chlorides Benzene and substituted derivatives Heteroaromatic compounds Vinylogous amides Vinylogous halides Carboxylic acid esters Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpyrazole - 1-benzothiophene - Benzothiophene - 2-heteroaryl carboxamide - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Pyrazole-4-carboxylic acid or derivatives - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Thiophene - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - 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