Compound Identification
SMILES
CC1=NC(C)=C(S1)C(=O)C1=C(O)C(=O)N(C1C1=CC=CC=C1Br)C1=NN=C(SCC2=CC=CC3=CC=CC=C23)S1
InChIKey
InChIKey=XHBCHOPZYLRDFA-UHFFFAOYSA-N
Formula
C29H21BrN4O3S3
Mass
649.6
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
Naphthalenes 2,4,5-trisubstituted thiazoles Aryl ketones Pyrroline carboxylic acids and derivatives Bromobenzenes Alkylarylthioethers Aryl bromides Pyrroles Vinylogous acids Heteroaromatic compounds Tertiary carboxylic acid amides Thiadiazoles Lactams Enols Azacyclic compounds Sulfenyl compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrroline - Naphthalene - 2,4,5-trisubstituted 1,3-thiazole - Aryl thioether - Pyrroline carboxylic acid or derivatives - Aryl ketone - Halobenzene - Bromobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiazole - Thiadiazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Pyrrole - Azole - Vinylogous acid - Carboxamide group - Ketone - Lactam - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Enol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen 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