Compound Identification
SMILES
CC1=C2N=C(SC2=CC=C1)N(CC1=CC=CC=N1)C(=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=QWZZNPRYQDVMBZ-UHFFFAOYSA-N
Formula
C21H16ClN3OS
Mass
393.89
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 Benzothiazoles Benzoyl derivatives Chlorobenzenes Aryl chlorides Pyridines and derivatives Heteroaromatic compounds Tertiary carboxylic acid amides Thiazoles Amino acids and derivatives Tertiary amines Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - 1,3-benzothiazole - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Azole - Tertiary amine - Amino acid or derivatives - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Amine - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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