Compound Identification
SMILES
COCCN1C(SC2=CC=CC(F)=C12)=NC(=O)C1=C(Cl)C=C(Cl)C=C1
InChIKey
InChIKey=YSXGERMHERFBIB-UHFFFAOYSA-N
Formula
C17H13Cl2FN2O2S
Mass
399.26
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
2-halobenzoic acids and derivatives Benzothiazoles Benzoyl derivatives Dichlorobenzenes Aryl chlorides Aryl fluorides Vinylogous halides Thiazoles Heteroaromatic compounds Isothioureas Dialkyl ethers Carboxylic acids and derivatives Azacyclic compounds Organic oxides Organochlorides Organofluorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - 1,3-benzothiazole - Benzoyl - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - Vinylogous halide - Thiazole - Isothiourea - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Organic oxide - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organofluoride - Organochloride - Organohalogen 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