Compound Identification
SMILES
CCOC(=O)C1=C(C)N=C2S\C(=C\C3=C(O)C=CC(Br)=C3)C(=O)N2C1C1=CC=CS1
InChIKey
InChIKey=LTQINUYSWPSMNB-MHWRWJLKSA-N
Formula
C21H17BrN2O4S2
Mass
505.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
-
Subclass
Halophenols
-
Level 5
Bromophenols
- Level 6 P-bromophenols
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Level 5
Bromophenols
-
Subclass
Halophenols
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Halophenols
Intermediate Tree Nodes
Bromophenols
Direct Parent
P-bromophenols
Alternative Parents
1-hydroxy-2-unsubstituted benzenoids Bromobenzenes Aryl bromides Thiophenes Thiazoles Heteroaromatic compounds Enoate esters Lactams Isothioureas Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiophene - Thiazole - Carboxylic acid ester - Isothiourea - Lactam - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organic oxide - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as p-bromophenols. These are bromophenols carrying a iodine at the C4 position of the benzene ring.
External Descriptors
Not available