Compound Identification
SMILES
OCCOCCN1C(C(C(=O)C2=CC=CS2)=C(O)C1=O)C1=CC(Br)=CC=C1
InChIKey
InChIKey=SSKFLEKNGASHSL-UHFFFAOYSA-N
Formula
C19H18BrNO5S
Mass
452.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolines
- Subclass Phenylpyrrolines
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Class
Pyrrolines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolines
Subclass
Phenylpyrrolines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolines
Alternative Parents
Pyrroline carboxylic acids and derivatives Aryl ketones Bromobenzenes Aryl bromides Vinylogous acids Thiophenes Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Lactams Azacyclic compounds Dialkyl ethers Enols Organonitrogen compounds Organobromides Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrroline - Pyrroline carboxylic acid or derivatives - Aryl ketone - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Pyrrole - Vinylogous acid - Thiophene - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Ketone - Azacycle - Carboxylic acid derivative - Dialkyl ether - Enol - Ether - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organobromide - 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