Compound Identification
SMILES
COC1=CC=CC=C1NC1=NC2=C(S1)C=C(NC(=O)C1=C(Cl)C=CC=C1Cl)C=C2
InChIKey
InChIKey=PAFWQWTXOBRCJN-UHFFFAOYSA-N
Formula
C21H15Cl2N3O2S
Mass
444.33
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
2-halobenzoic acids and derivatives
Alternative Parents
Methoxyanilines Benzothiazoles Benzamides Phenoxy compounds Methoxybenzenes Anisoles Dichlorobenzenes Benzoyl derivatives Alkyl aryl ethers 2-amino-1,3-thiazoles Aryl chlorides Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Secondary amines Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - 1,3-benzothiazole - Methoxyaniline - Anisole - Phenoxy compound - Benzoyl - 1,3-dichlorobenzene - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Chlorobenzene - Alkyl aryl ether - Halobenzene - Aryl halide - 1,3-thiazol-2-amine - Aryl chloride - Heteroaromatic compound - Vinylogous halide - Azole - Thiazole - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Secondary amine - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Amine - Organic nitrogen compound - Organohalogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available