Compound Identification
SMILES
CC1=C(SC2=NC3=CC=CC=C3N12)C(=O)C1=C(O)C(=O)N(CCCN2C=CN=C2)C1C1=CC(Cl)=CC=C1
InChIKey
InChIKey=XJXQRVSRANFTAA-UHFFFAOYSA-N
Formula
C27H22ClN5O3S
Mass
532.02
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Benzimidazoles Aryl ketones Pyrroline carboxylic acids and derivatives Chlorobenzenes Aryl chlorides N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Thiazoles Vinylogous acids Pyrroles Tertiary carboxylic acid amides Lactams Enols Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrroline - Benzimidazole - Pyrroline carboxylic acid or derivatives - Aryl ketone - Halobenzene - Chlorobenzene - Benzenoid - Aryl halide - Aryl chloride - N-substituted imidazole - Monocyclic benzene moiety - Vinylogous amide - Vinylogous acid - Azole - Thiazole - Tertiary carboxylic acid amide - Pyrrole - Imidazole - Heteroaromatic compound - Carboxamide group - Lactam - Ketone - Azacycle - Carboxylic acid derivative - Enol - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - 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