Compound Identification
SMILES
ClC1=CC(Cl)=C(C=C1)C(=O)NN1C(=S)S\C(=C\C2=NC3=CC=CC=C3N2)C1=O
InChIKey
InChIKey=VQORZZSDACWMBW-RIYZIHGNSA-N
Formula
C18H10Cl2N4O2S2
Mass
449.32
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
2-halobenzoic acids and derivatives Benzimidazoles Benzoyl derivatives Dichlorobenzenes Thiazolidinethiones Aryl chlorides Vinylogous halides Heteroaromatic compounds Imidazoles Carboxylic acid hydrazides Azacyclic compounds Organic oxides Carbonyl compounds Organochlorides Organonitrogen compounds Organosulfur compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzimidazole - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Thiazolidinethione - Azole - Heteroaromatic compound - Vinylogous halide - Thiazolidine - Imidazole - Carboxylic acid hydrazide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen 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