Compound Identification
SMILES
CSC1=NC=C(Br)C(=N1)C(=O)NNC(=O)C1=CC=CC=C1Br
InChIKey
InChIKey=WSNGLHRKLZKJMO-UHFFFAOYSA-N
Formula
C13H10Br2N4O2S
Mass
446.12
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
2-halobenzoic acids and derivatives
Alternative Parents
Pyrimidinecarboxylic acids and derivatives Benzoyl derivatives Alkylarylthioethers Bromobenzenes Halopyrimidines Aryl bromides Vinylogous halides Heteroaromatic compounds Carboxylic acid hydrazides Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Pyrimidine-6-carboxylic acid or derivatives - Benzoyl - Aryl thioether - Bromobenzene - Halobenzene - Halopyrimidine - Alkylarylthioether - Aryl bromide - Aryl halide - Pyrimidine - Vinylogous halide - Heteroaromatic compound - Carboxylic acid hydrazide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Sulfenyl compound - Thioether - Organohalogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteromonocyclic 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