Compound Identification
SMILES
CC1=NN=C(S1)N1C(C(C(=O)C2=CC3=CC=CC=C3O2)=C(O)C1=O)C1=CC=C(F)C=C1
InChIKey
InChIKey=KAMHHXGZRMSDIQ-UHFFFAOYSA-N
Formula
C22H14FN3O4S
Mass
435.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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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
Benzofurans Pyrroline carboxylic acids and derivatives Aryl ketones Fluorobenzenes Aryl fluorides Vinylogous acids Thiadiazoles Tertiary carboxylic acid amides Pyrroles Furans Heteroaromatic compounds Lactams Oxacyclic compounds Azacyclic compounds Enols Organofluorides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrroline - Benzofuran - Pyrroline carboxylic acid or derivatives - Aryl ketone - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiadiazole - Tertiary carboxylic acid amide - Pyrrole - Azole - Furan - Heteroaromatic compound - Vinylogous acid - Lactam - Ketone - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Enol - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - 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