Compound Identification
SMILES
CC1=NC(C)=C(S1)C(=O)C1=C(O)C(=O)N(C1C1=CC(Cl)=CC=C1)C1=NN=C(SCC2=CC=C(C)C=C2)S1
InChIKey
InChIKey=ZVXZCRVUUOYWPR-UHFFFAOYSA-N
Formula
C26H21ClN4O3S3
Mass
569.11
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
2,4,5-trisubstituted thiazoles Pyrroline carboxylic acids and derivatives Aryl ketones Toluenes Alkylarylthioethers Chlorobenzenes Aryl chlorides Vinylogous acids Thiadiazoles Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Lactams Sulfenyl compounds Azacyclic compounds Enols Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrroline - 2,4,5-trisubstituted 1,3-thiazole - Aryl thioether - Pyrroline carboxylic acid or derivatives - Aryl ketone - Chlorobenzene - Halobenzene - Toluene - Alkylarylthioether - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous acid - Thiazole - Thiadiazole - Tertiary carboxylic acid amide - Azole - Pyrrole - Carboxamide group - Ketone - Lactam - Sulfenyl compound - Azacycle - Enol - Carboxylic acid derivative - Thioether - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic 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