Compound Identification
SMILES
CN1C=NC2=C1C=C(C(=O)NOCCSC1=CC=CC=C1)C(NC1=C(Cl)C=C(Br)C=C1)=C2F
InChIKey
InChIKey=QQAQCSHSYVUYNU-UHFFFAOYSA-N
Formula
C23H19BrClFN4O2S
Mass
549.84
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- 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
Halobenzoic acids and derivatives
Direct Parent
3-halobenzoic acids and derivatives
Alternative Parents
Benzimidazoles Thiophenol ethers Aniline and substituted anilines Bromobenzenes Chlorobenzenes Alkylarylthioethers Aryl fluorides N-substituted imidazoles Aryl chlorides Aryl bromides Primary aromatic amines Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Sulfenyl compounds Secondary amines Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organofluorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzimidazole - Aryl thioether - Thiophenol ether - Aniline or substituted anilines - Bromobenzene - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl bromide - Aryl fluoride - Aryl halide - N-substituted imidazole - Primary aromatic amine - Heteroaromatic compound - Vinylogous amide - Azole - Imidazole - Amino acid or derivatives - Secondary amine - Thioether - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Organosulfur compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Organohalogen compound - Organobromide - Organochloride - Organofluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available