Compound Identification
SMILES
BrC1=CC=C(C=C1)C1=CC=C(O1)C=C1SC(=NC1=O)N1CCN(CCC#N)CC1
InChIKey
InChIKey=USXAWEJQZJVDKU-UHFFFAOYSA-N
Formula
C21H19BrN4O2S
Mass
471.37
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Halobenzenes
- Level 5 Bromobenzenes
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Subclass
Halobenzenes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Bromobenzenes
Alternative Parents
N-alkylpiperazines Aryl bromides Thiazolines Furans Heteroaromatic compounds Trialkylamines Amino acids and derivatives Isothioureas N-acylimines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Carboximidamides Nitriles Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Bromobenzene - N-alkylpiperazine - Aryl bromide - Aryl halide - 1,4-diazinane - Piperazine - Heteroaromatic compound - Furan - Meta-thiazoline - Amino acid or derivatives - Isothiourea - Tertiary amine - Tertiary aliphatic amine - N-acylimine - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carbonitrile - Nitrile - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Organic oxide - Cyanide - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organic oxygen 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