Compound Identification
SMILES
CCOC1=CC=C(NC(=O)CSC2=NN=C(NC(=O)C3=C(F)C=CC=C3Cl)S2)C=C1
InChIKey
InChIKey=BDHAROAVRCTGSS-UHFFFAOYSA-N
Formula
C19H16ClFN4O3S2
Mass
466.93
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
2-halobenzoic acids and derivatives
Alternative Parents
Anilides Benzamides Phenoxy compounds Phenol ethers N-arylamides Benzoyl derivatives Alkyl aryl ethers Alkylarylthioethers Fluorobenzenes Chlorobenzenes Aryl chlorides Aryl fluorides Vinylogous halides Thiadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Anilide - Benzamide - Phenoxy compound - Aryl thioether - N-arylamide - Benzoyl - Phenol ether - Alkyl aryl ether - Halobenzene - Fluorobenzene - Chlorobenzene - Alkylarylthioether - Aryl chloride - Aryl fluoride - Aryl halide - Heteroaromatic compound - Azole - Thiadiazole - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Carboxylic acid derivative - Ether - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.
External Descriptors
Not available