Compound Identification
SMILES
COC1=C2N=C(NC(=O)C3=CC=C(F)C=C3)SC2=C(C=C1)C1=CCN(CC1)C(C)=O
InChIKey
InChIKey=UAFWOBSKFXWEEM-UHFFFAOYSA-N
Formula
C22H20FN3O3S
Mass
425.48
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 Anisoles Benzoyl derivatives Alkyl aryl ethers Fluorobenzenes Hydropyridines Aryl fluorides Thiazoles Tertiary carboxylic acid amides Acetamides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organofluorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - 1,3-benzothiazole - Anisole - Benzoyl - Phenol ether - Fluorobenzene - Halobenzene - Alkyl aryl ether - Hydropyridine - Aryl halide - Aryl fluoride - Azole - Heteroaromatic compound - Acetamide - Tertiary carboxylic acid amide - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - 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