Compound Identification
SMILES
OC(=O)C1=CC=C(NC2=NC(=C(S2)C2=CC=NC=C2)C2=CC(Cl)=C(Cl)C=C2)C=C1
InChIKey
InChIKey=VQHYUCOVGWMOCC-UHFFFAOYSA-N
Formula
C21H13Cl2N3O2S
Mass
442.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acids
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acids
Alternative Parents
2,4,5-trisubstituted thiazoles Aniline and substituted anilines Benzoyl derivatives Dichlorobenzenes 2-amino-1,3-thiazoles Pyridines and derivatives Aryl chlorides Heteroaromatic compounds Amino acids Carboxylic acids Azacyclic compounds Secondary amines Organochlorides Organooxygen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid - 2,4,5-trisubstituted 1,3-thiazole - Benzoyl - 1,2-dichlorobenzene - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,3-thiazol-2-amine - Pyridine - Heteroaromatic compound - Azole - Thiazole - Amino acid - Amino acid or derivatives - Secondary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
External Descriptors
Not available