Compound Identification
SMILES
BrC1=CC=C(C=C1)C1=CS\C(N1)=C(\C#N)C(=O)CN1CCOCC1
InChIKey
InChIKey=OCKGLTIKOIXKKG-VKAVYKQESA-N
Formula
C17H16BrN3O2S
Mass
406.3
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
Vinylogous thioesters Aryl bromides Morpholines Vinylogous amides Thiazolines Thiazoles Acryloyl compounds Alpha-amino ketones Enones Trialkylamines Thioenol ethers Ketene acetals Oxacyclic compounds Azacyclic compounds Dialkyl ethers Nitriles Enamines Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Bromobenzene - Morpholine - Oxazinane - Aryl bromide - Aryl halide - Vinylogous thioester - Acryloyl-group - Alpha-aminoketone - Thiazole - Meta-thiazoline - Vinylogous amide - Enone - Tertiary aliphatic amine - Tertiary amine - Ketone - Thioenolether - Ketene acetal or derivatives - Dialkyl ether - Enamine - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Amine - Organic oxygen compound - Organic nitrogen compound - Cyanide - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen 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