Compound Identification
SMILES
BrC1=CC=C(C=C1)C1=CSC(=NC2=CC=CC=C2)N1CCN1CCOCC1
InChIKey
InChIKey=VEAIVTYBLXDRJH-UHFFFAOYSA-N
Formula
C21H22BrN3OS
Mass
444.39
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Halobenzenes
- Level 5 Bromobenzenes
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Subclass
Halobenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Bromobenzenes
Alternative Parents
Morpholines Aryl bromides Thiazoles Heteroaromatic compounds Trialkylamines Isothioureas Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Bromobenzene - Aryl bromide - Aryl halide - Morpholine - Oxazinane - Azole - Heteroaromatic compound - Thiazole - Isothiourea - Tertiary aliphatic amine - Tertiary amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
External Descriptors
Not available