Compound Identification
SMILES
CC1=CC(\C=C2/C(=O)NC(=S)N(C2=O)C2=CC=C(Cl)C=C2)=C(C)N1C1=CC=C(Br)C=C1
InChIKey
InChIKey=QKDJDWKKKRJTME-UDWIEESQSA-N
Formula
C23H17BrClN3O2S
Mass
514.82
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
N-phenylthioureas Thiobarbituric acid derivatives Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Diazinanes Heteroaromatic compounds Thioureas Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organobromides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrole - N-phenylthiourea - Thiobarbiturate - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3-diazinane - Heteroaromatic compound - Thiourea - Carboxylic acid derivative - Azacycle - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organobromide - Organochloride - 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