Compound Identification
SMILES
[O-][N+](=O)C1=C(NC2=NC=CS2)N=CN=C1NNC(=O)C1=C(Cl)C=C(Cl)C=C1
InChIKey
InChIKey=RGBQIYODABSZPT-UHFFFAOYSA-N
Formula
C14H9Cl2N7O3S
Mass
426.23
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 Benzoyl derivatives Dichlorobenzenes Nitroaromatic compounds Aminopyrimidines and derivatives 2-amino-1,3-thiazoles Aryl chlorides Imidolactams Vinylogous halides Heteroaromatic compounds Amino acids and derivatives Carboxylic acid hydrazides Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organooxygen compounds Organic zwitterions Organic salts Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Nitroaromatic compound - Benzoyl - 1,3-dichlorobenzene - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,3-thiazol-2-amine - Pyrimidine - Imidolactam - Azole - Heteroaromatic compound - Thiazole - Vinylogous halide - Carboxylic acid hydrazide - Amino acid or derivatives - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organic salt - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organic zwitterion - Organic nitrogen compound - 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