Compound Identification
SMILES
CCCOC1=CC=CC(=C1)C1N(C(=O)C(O)=C1C(=O)C1=C(C)N=C(C)S1)C1=NN=C(SCC2=CC=CC=C2F)S1
InChIKey
InChIKey=YRZCTIPEMVARGL-UHFFFAOYSA-N
Formula
C28H25FN4O4S3
Mass
596.71
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
2,4,5-trisubstituted thiazoles Pyrroline carboxylic acids and derivatives Phenoxy compounds Phenol ethers Aryl ketones Alkyl aryl ethers Alkylarylthioethers Fluorobenzenes Aryl fluorides Vinylogous acids Thiadiazoles Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Lactams Sulfenyl compounds Azacyclic compounds Enols Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrroline - 2,4,5-trisubstituted 1,3-thiazole - Phenol ether - Pyrroline carboxylic acid or derivatives - Aryl ketone - Aryl thioether - Phenoxy compound - Alkylarylthioether - Fluorobenzene - Alkyl aryl ether - Halobenzene - Aryl fluoride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Azole - Vinylogous acid - Heteroaromatic compound - Thiazole - Thiadiazole - Tertiary carboxylic acid amide - Pyrrole - Carboxamide group - Ketone - Lactam - Thioether - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Enol - Ether - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organonitrogen 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