Compound Identification
SMILES
CCOC1=CC2=C(C=C1)N=C(S2)N1C(C(C(=O)C2=C(C)N=C(C)S2)=C(O)C1=O)C1=CC(Br)=CC=C1
InChIKey
InChIKey=BKJKVQOTAOSSQQ-UHFFFAOYSA-N
Formula
C25H20BrN3O4S2
Mass
570.48
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 Pyrroline carboxylic acids and derivatives Phenol ethers 2,4,5-trisubstituted thiazoles Aryl ketones Alkyl aryl ethers Bromobenzenes Aryl bromides Vinylogous acids Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Lactams Enols Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrroline - 1,3-benzothiazole - 2,4,5-trisubstituted 1,3-thiazole - Aryl ketone - Phenol ether - Pyrroline carboxylic acid or derivatives - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous acid - Thiazole - Azole - Tertiary carboxylic acid amide - Pyrrole - Lactam - Carboxamide group - Ketone - Azacycle - Carboxylic acid derivative - Enol - Ether - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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