Compound Identification
SMILES
COC1=CC=C(OCCSC2=NN=C(CCNC(=O)C3=CC=CC=C3F)N2C)C=C1
InChIKey
InChIKey=GKHKNKZQERZMTA-UHFFFAOYSA-N
Formula
C21H23FN4O3S
Mass
430.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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
Benzamides Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Alkylarylthioethers Fluorobenzenes Aryl fluorides Vinylogous halides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzamide - Anisole - Benzoyl - Phenol ether - Phenoxy compound - Methoxybenzene - Aryl thioether - Alkyl aryl ether - Fluorobenzene - Alkylarylthioether - Halobenzene - Aryl halide - Aryl fluoride - Azole - Heteroaromatic compound - Vinylogous halide - 1,2,4-triazole - Secondary carboxylic acid amide - Carboxamide group - Thioether - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur 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