Compound Identification
SMILES
CCOC(=O)C1=NN(C(=O)C2=C(NC(=O)C3=CC=C(Cl)C=C3)SC=C12)C1=CC=C(C)C=C1
InChIKey
InChIKey=RBWMMVJSMFKMTB-UHFFFAOYSA-N
Formula
C23H18ClN3O4S
Mass
467.92
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
Thieno[3,4-d]pyridazines Benzamides Benzoyl derivatives Toluenes Pyridazinones Chlorobenzenes Aryl chlorides Vinylogous amides Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Lactams Azacyclic compounds Organochlorides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Thieno[3,4-d]pyridazine - Thienopyridazine - Benzoyl - Chlorobenzene - Halobenzene - Pyridazinone - Toluene - Aryl chloride - Aryl halide - Pyridazine - Thiophene - Heteroaromatic compound - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic 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