Compound Identification
SMILES
COC1=C(C=C(C)C=C1)N1C(=O)C(C(=C1N)C1=NC2=CC=CC=C2S1)C1=CC=CC=C1
InChIKey
InChIKey=KTSWWPUFVKTTDE-UHFFFAOYSA-N
Formula
C25H21N3O2S
Mass
427.52
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
Benzothiazoles Methoxyanilines Anisoles Methoxybenzenes Phenoxy compounds Toluenes Alkyl aryl ethers Thiazoles Heteroaromatic compounds Pyrroles Tertiary carboxylic acid amides Lactams Ketene acetals Azacyclic compounds Organic oxides Amines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrroline - 3-phenylpyrroline - 1,3-benzothiazole - Methoxyaniline - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Toluene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Pyrrole - Azole - Carboxamide group - Ketene acetal or derivatives - Lactam - Ether - Carboxylic acid derivative - Azacycle - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen 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