Compound Identification
SMILES
ClC(Cl)(Cl)C(NC(=O)C1=CC=C(Br)C=C1)NC1=C(C#N)C2=C(CCCC2)S1
InChIKey
InChIKey=RPUQUYISZWORHI-UHFFFAOYSA-N
Formula
C18H15BrCl3N3OS
Mass
507.65
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 Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Nitriles Organooxygen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Heteroaromatic compound - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic nitrogen compound - Organooxygen compound - Alkyl halide - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organohalogen compound - Organobromide - Organochloride - Organonitrogen 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