Compound Identification
SMILES
CC1=CC(C=C2C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)=C(C)N1C1=C(Cl)C=CC(Cl)=C1
InChIKey
InChIKey=XTKOJWBDRMVKPH-UHFFFAOYSA-N
Formula
C24H22Cl2N6O3S
Mass
545.44
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
Dichlorobenzenes Pyrimidones Aryl chlorides Hydropyrimidines Morpholines Imidolactams Thiadiazolines Tertiary carboxylic acid amides Heteroaromatic compounds N-acylimines Amidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkyl ethers Oxacyclic compounds Carbonyl compounds Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrole - 1,4-dichlorobenzene - Pyrimidone - Halobenzene - Chlorobenzene - Morpholine - 1,4,5,6-tetrahydropyrimidine - Oxazinane - Aryl chloride - Pyrimidine - Imidolactam - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Aryl halide - Thiadiazoline - Tertiary carboxylic acid amide - Heteroaromatic compound - N-acylimine - Carboxamide group - Amidine - Carboxylic acid derivative - Oxacycle - Dialkyl ether - Azacycle - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - 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