Compound Identification
SMILES
OC(=O)C1=CC(=CC=C1)N1C=CC=C1C=C1C(=O)NC(=S)N(C1=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=CSSAYQKDDVFGIT-UHFFFAOYSA-N
Formula
C22H14ClN3O4S
Mass
451.88
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
-
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 Benzoic acids Benzoyl derivatives Chlorobenzenes Aryl chlorides Diazinanes Heteroaromatic compounds Thioureas Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrole - N-phenylthiourea - Benzoic acid or derivatives - Thiobarbiturate - Benzoic acid - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Heteroaromatic compound - Thiourea - Carboxylic acid derivative - Azacycle - Carboxylic acid - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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