Compound Identification
SMILES
CC1=CC(CSC2=NCCN2C(=O)C2=CC=CC=C2F)=C(C)C=C1
InChIKey
InChIKey=IKXMBGYZXCHQKL-UHFFFAOYSA-N
Formula
C19H19FN2OS
Mass
342.43
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
p-Xylenes Benzoyl derivatives Fluorobenzenes Aryl fluorides Vinylogous halides Imidazolines Isothioureas Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxylic acids and derivatives Organooxygen compounds Hydrocarbon derivatives Organofluorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-halobenzoic acid or derivatives - Benzoyl - P-xylene - Xylene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - 2-imidazoline - Vinylogous halide - Isothiourea - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen 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