Compound Identification
SMILES
CC1=CC=C(OCCSC2=NC3=C(S2)C=C(NC(=O)C2=CC=C(F)C=C2)C=C3)C=C1
InChIKey
InChIKey=DGJCTAMMCCIBMZ-UHFFFAOYSA-N
Formula
C23H19FN2O2S2
Mass
438.54
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 Phenol ethers Phenoxy compounds Alkylarylthioethers Fluorobenzenes Alkyl aryl ethers Toluenes Aryl fluorides Heteroaromatic compounds Thiazoles Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - 1,3-benzothiazole - Benzamide - Phenol ether - Phenoxy compound - Aryl thioether - Benzoyl - Alkyl aryl ether - Halobenzene - Fluorobenzene - Toluene - Alkylarylthioether - Aryl fluoride - Aryl halide - Thiazole - Azole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Thioether - Ether - Carboxylic acid derivative - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur 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