Compound Identification
SMILES
CCN(CC)CCN1C(C(C(=O)C2=CC=CS2)=C(O)C1=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=XSIAGSINYIVIFR-UHFFFAOYSA-N
Formula
C21H23ClN2O3S
Mass
418.94
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
Aryl ketones Pyrroline carboxylic acids and derivatives Chlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Vinylogous acids Thiophenes Trialkylamines Lactams Amino acids and derivatives Enols Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrroline - Pyrroline carboxylic acid or derivatives - Aryl ketone - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrrole - Vinylogous acid - Tertiary carboxylic acid amide - Thiophene - Ketone - Amino acid or derivatives - Tertiary amine - Lactam - Carboxamide group - Tertiary aliphatic amine - Azacycle - Carboxylic acid derivative - Enol - Organooxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organochloride - Organohalogen 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