Compound Identification
SMILES
C[NH+](C)CCCN1C(C(C(=O)C2=C(C)N=C(C)S2)=C([O-])C1=O)C1=CC=CC=C1F
InChIKey
InChIKey=FOFWMAANUMCOKY-UHFFFAOYSA-N
Formula
C21H24FN3O3S
Mass
417.5
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
Pyrroline carboxylic acids and derivatives 2,4,5-trisubstituted thiazoles Aryl ketones Fluorobenzenes Aryl fluorides Vinylogous acids Tertiary carboxylic acid amides Quaternary ammonium salts Pyrroles Heteroaromatic compounds Trialkylamines Amino acids and derivatives Lactams Azacyclic compounds Organofluorides Organic oxides Organic salts Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrroline - 2,4,5-trisubstituted 1,3-thiazole - Pyrroline carboxylic acid or derivatives - Aryl ketone - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Azole - Thiazole - Tertiary carboxylic acid amide - Pyrrole - Quaternary ammonium salt - Heteroaromatic compound - Tertiary aliphatic amine - Amino acid or derivatives - Carboxamide group - Ketone - Lactam - Tertiary amine - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic salt - Organic zwitterion - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - 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