Compound Identification
SMILES
CN1C(SCC(=O)C2=C(C)N(C(C)=C2)C2=CC=C(Br)C=C2)=NC2=CC=CC=C12
InChIKey
InChIKey=BMHQKBMVKVMFJP-UHFFFAOYSA-N
Formula
C22H20BrN3OS
Mass
454.39
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
-
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
Benzimidazoles Aryl alkyl ketones Bromobenzenes Alkylarylthioethers N-substituted imidazoles Aryl bromides Vinylogous amides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrole - Benzimidazole - Aryl thioether - Aryl ketone - Aryl alkyl ketone - Bromobenzene - Halobenzene - Alkylarylthioether - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl bromide - N-substituted imidazole - Heteroaromatic compound - Vinylogous amide - Azole - Imidazole - Ketone - Azacycle - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - 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