Compound Identification
SMILES
COC(=O)C1=C(NC(=C1C1=CC=NC=C1)C1=CC(Cl)=CC=C1)C1=CC2=C(SCCC2)C=C1
InChIKey
InChIKey=YQFFMAYIPBKCIQ-UHFFFAOYSA-N
Formula
C26H21ClN2O2S
Mass
460.98
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
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Subclass
Substituted pyrroles
- Level 5 Phenylpyrroles
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Subclass
Substituted pyrroles
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Class
Pyrroles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Substituted pyrroles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrroles
Alternative Parents
Thiochromanes 1-benzothiopyrans Pyrrole carboxylic acids and derivatives Alkylarylthioethers Chlorobenzenes Thiopyrans Aryl chlorides Pyridines and derivatives Methyl esters Heteroaromatic compounds Vinylogous amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrole - Thiochromane - 1-benzothiopyran - Benzothiopyran - Aryl thioether - Pyrrole-3-carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl halide - Benzenoid - Thiopyran - Monocyclic benzene moiety - Pyridine - Aryl chloride - Vinylogous amide - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Thioether - Azacycle - Carboxylic acid derivative - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen 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