Compound Identification
SMILES
CC1=CC2=C(C=C1)N=C(S2)N1[C@@H](C(C(=O)C2=CC3=CC=CC=C3O2)=C(O)C1=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=YZBWNPVAXCQESB-HSZRJFAPSA-N
Formula
C27H17BrN2O4S
Mass
545.41
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolines
- Subclass Phenylpyrrolines
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Class
Pyrrolines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolines
Subclass
Phenylpyrrolines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolines
Alternative Parents
Benzofurans Benzothiazoles Aryl ketones Pyrroline carboxylic acids and derivatives Bromobenzenes Aryl bromides Vinylogous acids Thiazoles Tertiary carboxylic acid amides Pyrroles Furans Heteroaromatic compounds Lactams Azacyclic compounds Enols Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrroline - 1,3-benzothiazole - Benzofuran - Aryl ketone - Pyrroline carboxylic acid or derivatives - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Thiazole - Pyrrole - Vinylogous acid - Furan - Heteroaromatic compound - Azole - Ketone - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Enol - Oxacycle - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond.
External Descriptors
Not available