Compound Identification
SMILES
OC1=C(C(N(C1=O)C1=NN=C(SCC2=CC=C(F)C=C2)S1)C1=CC=C(O)C=C1)C(=O)C1=CC2=CC=CC=C2O1
InChIKey
InChIKey=QLLITIBZRWHUGZ-UHFFFAOYSA-N
Formula
C28H18FN3O5S2
Mass
559.59
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
Benzofurans Aryl ketones Pyrroline carboxylic acids and derivatives 1-hydroxy-2-unsubstituted benzenoids Alkylarylthioethers Fluorobenzenes Aryl fluorides Vinylogous acids Thiadiazoles Tertiary carboxylic acid amides Pyrroles Furans Heteroaromatic compounds Lactams Azacyclic compounds Oxacyclic compounds Enols Sulfenyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrroline - Benzofuran - Aryl thioether - Pyrroline carboxylic acid or derivatives - Aryl ketone - Fluorobenzene - Halobenzene - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Aryl fluoride - Aryl halide - Heteroaromatic compound - Vinylogous acid - Furan - Thiadiazole - Tertiary carboxylic acid amide - Pyrrole - Azole - Carboxamide group - Ketone - Lactam - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Enol - Thioether - Oxacycle - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organohalogen compound - Organofluoride - 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