Compound Identification
SMILES
CSC1=CC(C(=O)OCC(=O)C2=C(C)N(C(C)=C2)C2=CC=C(Br)C=C2)=C(Cl)C=C1
InChIKey
InChIKey=MSSSPFZEOVHQMD-UHFFFAOYSA-N
Formula
C22H19BrClNO3S
Mass
492.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
2-halobenzoic acids and derivatives M-sulfanylbenzoic acids and derivatives Benzoic acid esters Thiophenol ethers Aryl alkyl ketones Benzoyl derivatives Alkylarylthioethers Chlorobenzenes Bromobenzenes Aryl bromides Aryl chlorides Vinylogous halides Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Organic oxides Organobromides Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrole - M-sulfanylbenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Aryl thioether - Benzoyl - Thiophenol ether - Aryl ketone - Aryl alkyl ketone - Bromobenzene - Chlorobenzene - Halobenzene - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Aryl bromide - Vinylogous halide - Vinylogous amide - Heteroaromatic compound - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Thioether - Sulfenyl compound - Azacycle - Organochloride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Aromatic heteromonocyclic 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