Compound Identification
SMILES
COCCN1C(SC2=C1C=CC(Br)=C2)=NC(=O)C1=CC(Cl)=CC=C1
InChIKey
InChIKey=NDLSBRHFGOTTKU-UHFFFAOYSA-N
Formula
C17H14BrClN2O2S
Mass
425.73
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
3-halobenzoic acids and derivatives
Alternative Parents
Benzothiazoles Benzoyl derivatives Chlorobenzenes Aryl bromides Aryl chlorides Thiazoles Heteroaromatic compounds Isothioureas Dialkyl ethers Carboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Organobromides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - 1,3-benzothiazole - Benzoyl - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Heteroaromatic compound - Azole - Thiazole - Isothiourea - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organobromide - Organohalogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available