Compound Identification
SMILES
CCOC(=O)C1=C(NNC(=O)C2=CC=C(Cl)C=C2)N=C(N)S1
InChIKey
InChIKey=FWOZVHRXRULBFE-UHFFFAOYSA-N
Formula
C13H13ClN4O3S
Mass
340.78
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
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
4-halobenzoic acids and derivatives
Alternative Parents
Thiazolecarboxylic acids and derivatives 2,4,5-trisubstituted thiazoles Benzoyl derivatives Chlorobenzenes 2-amino-1,3-thiazoles Aryl chlorides Imidolactams Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Carboxylic acid hydrazides Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds Organopnictogen compounds Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - 2,4,5-trisubstituted 1,3-thiazole - Thiazolecarboxylic acid or derivatives - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - 1,3-thiazol-2-amine - Imidolactam - Azole - Heteroaromatic compound - Thiazole - Vinylogous amide - Carboxylic acid hydrazide - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organooxygen compound - Primary amine - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available