Compound Identification
SMILES
CN1N=CC(C2=NC(=CS2)C2=CC=C(Cl)C=C2)=C1NC(=O)NC(=O)C1=C(F)C=CC=C1F
InChIKey
InChIKey=ISORPWSAPDYVCG-UHFFFAOYSA-N
Formula
C21H14ClF2N5O2S
Mass
473.88
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
Benzoyl derivatives 2,4-disubstituted thiazoles Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Vinylogous halides Pyrazoles Heteroaromatic compounds Ureas Carboxylic acids and derivatives Azacyclic compounds Organofluorides Organonitrogen compounds Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzoyl - 2,4-disubstituted 1,3-thiazole - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Azole - Heteroaromatic compound - Pyrazole - Thiazole - Vinylogous halide - Carbonic acid derivative - Urea - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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