Compound Identification
SMILES
CCOC1=CC2=C(C=C1)N=C(S2)N1C(C(C(=O)C2=CC=C(C)O2)=C(O)C1=O)C1=CC(Br)=CC=C1
InChIKey
InChIKey=RUPDTPBNONGHHK-UHFFFAOYSA-N
Formula
C25H19BrN2O5S
Mass
539.4
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
Benzothiazoles Aryl ketones Phenol ethers Pyrroline carboxylic acids and derivatives Alkyl aryl ethers Bromobenzenes Aryl bromides Heteroaromatic compounds Furans Thiazoles Vinylogous acids Tertiary carboxylic acid amides Pyrroles Lactams Oxacyclic compounds Enols Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrroline - 1,3-benzothiazole - Phenol ether - Pyrroline carboxylic acid or derivatives - Aryl ketone - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Furan - Pyrrole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Azole - Vinylogous acid - Carboxamide group - Ketone - Lactam - Ether - Enol - Carboxylic acid derivative - Azacycle - Oxacycle - Organobromide - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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