Compound Identification
SMILES
CCOC(=O)C1=C(C)N=C2SC(=CC3=CC(Br)=C(C)C=C3)C(=O)N2C1C1=CC=CC=C1
InChIKey
InChIKey=PPZUREDJQCTIFP-UHFFFAOYSA-N
Formula
C24H21BrN2O3S
Mass
497.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
- Level 5 Halotoluenes
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Subclass
Toluenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Halotoluenes
Alternative Parents
Bromobenzenes Aryl bromides Thiazoles Heteroaromatic compounds Enoate esters Lactams Isothioureas Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Halotoluene - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Azole - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiazole - Carboxylic acid ester - Isothiourea - Lactam - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as halotoluenes. These are aromatic compounds containing a toluene that is substituted at one or more ring positions with a halogen atom.
External Descriptors
Not available