Compound Identification
SMILES
ClC(Cl)(Cl)C(NC(=S)NC1=NC=NN1)NC(=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=VAYRHKMCBCLPSP-UHFFFAOYSA-N
Formula
C12H10BrCl3N6OS
Mass
472.57
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
Benzamides Benzoyl derivatives Bromobenzenes Aryl bromides Triazoles Heteroaromatic compounds Thioureas Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Organonitrogen compounds Organooxygen compounds Alkyl chlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Heteroaromatic compound - 1,2,4-triazole - Azole - Thiourea - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxide - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Alkyl chloride - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Alkyl halide - 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