Compound Identification
SMILES
CC1=CC=C(C=C1)C1=NC(=CS1)C1=NN=C2CN(CCN12)C(=O)C1=CC=C(F)C=C1
InChIKey
InChIKey=IWVDZAWELKTROO-UHFFFAOYSA-N
Formula
C22H18FN5OS
Mass
419.48
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
4-halobenzoic acids and derivatives
Alternative Parents
Triazolopyrazines Benzamides Benzoyl derivatives 2,4-disubstituted thiazoles Toluenes Fluorobenzenes Aryl fluorides Pyrazines Heteroaromatic compounds Triazoles Tertiary carboxylic acid amides Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Organopnictogen compounds Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - Benzamide - Triazolopyrazine - Benzoyl - 2,4-disubstituted 1,3-thiazole - Fluorobenzene - Halobenzene - Toluene - Aryl fluoride - Aryl halide - Pyrazine - Triazole - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - 1,2,4-triazole - Azole - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen 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