Compound Identification
SMILES
Clc1cccc(c1)C(=O)N1C(=S)Nc2ccccc12
InChIKey
InChIKey=MGDKGJQTCFHTNY-UHFFFAOYSA-N
Formula
C14H9ClN2OS
Mass
288.75
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
Benzimidazoles Benzoyl derivatives N-acylimidazoles Chlorobenzenes Carbonylimidazoles Imidazolethiones Aryl chlorides Heteroaromatic compounds Thioureas Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Benzimidazole - Benzoyl - N-acylimidazole - Imidazole-1-carbonyl group - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Imidazole-2-thione - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Thiourea - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organohalogen compound - 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