Compound Identification
SMILES
CC1=CC(C(=O)COC(=O)CCC2=NC3=CC=CC=C3S2)=C(C)N1C1=CC=C(Br)C=C1
InChIKey
InChIKey=XDKVQOAZGDEANQ-UHFFFAOYSA-N
Formula
C24H21BrN2O3S
Mass
497.41
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
Benzothiazoles Aryl alkyl ketones Alpha-acyloxy ketones Bromobenzenes Fatty acid esters Aryl bromides Vinylogous amides Thiazoles Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organobromides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrole - 1,3-benzothiazole - Aryl ketone - Aryl alkyl ketone - Alpha-acyloxy ketone - Halobenzene - Bromobenzene - Fatty acid ester - Aryl halide - Fatty acyl - Benzenoid - Aryl bromide - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Thiazole - Azole - Ketone - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organohalogen compound - Organic oxygen compound - 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