Compound Identification
SMILES
CCOC(=O)C(C)(C)SC1=NC=NC2=C1C(=CN2C1=CC(F)=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=XSPARHFUXUJGOG-UHFFFAOYSA-N
Formula
C24H22FN3O2S
Mass
435.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
-
Subclass
Substituted pyrroles
- Level 5 Phenylpyrroles
-
Subclass
Substituted pyrroles
-
Class
Pyrroles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Substituted pyrroles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrroles
Alternative Parents
Pyrrolo[2,3-d]pyrimidines Fluorobenzenes Alkylarylthioethers Pyrimidines and pyrimidine derivatives Aryl fluorides Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpyrrole - 1-phenylpyrrole - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - Aryl thioether - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl halide - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Aryl fluoride - Heteroaromatic compound - Carboxylic acid ester - Sulfenyl compound - Thioether - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
External Descriptors
Not available