Compound Identification
SMILES
CS(=O)(=O)C1=C(C=C(Br)C(=C1)C(=O)N=C(N)N)C1CC1
InChIKey
InChIKey=VORSLKGUTLZWOJ-UHFFFAOYSA-N
Formula
C12H14BrN3O3S
Mass
360.23
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
2-halobenzoic acids and derivatives
Alternative Parents
Benzenesulfonyl compounds Benzoyl derivatives Bromobenzenes Acylguanidines Aryl bromides Vinylogous halides Sulfones Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Carboximidamides Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Acylguanidine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous halide - Sulfonyl - Sulfone - Guanidine - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic 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