Compound Identification
SMILES
[O-]C1=NC(S)=C(C#N)C([C@H]1[N+]1=CC=CC=C1)C1=CC(Br)=C(F)C=C1
InChIKey
InChIKey=NTGCZZBUBZTSQP-YSSOQSIOSA-N
Formula
C17H11BrFN3OS
Mass
404.26
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
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Subclass
Halobenzenes
- Level 5 Fluorobenzenes
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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
Fluorobenzenes
Alternative Parents
Bromobenzenes Dihydropyridines Pyridinium derivatives Aryl bromides Aryl fluorides Cyclic carboximidic acids Heteroaromatic compounds Ketene acetals Alkylthiols Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Nitriles Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organobromides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Bromobenzene - Dihydropyridine - Fluorobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Hydropyridine - Pyridine - Pyridinium - Heteroaromatic compound - Cyclic carboximidic acid - Ketene acetal or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Alkylthiol - Organoheterocyclic compound - Azacycle - Carbonitrile - Nitrile - Organic salt - Organobromide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
External Descriptors
Not available