Compound Identification
SMILES
COC1=C(OCC2=CC=CC=C2C#N)C=C(Br)C(=C1)C(=S)N1CCOCC1
InChIKey
InChIKey=MEMOIVMLWUARQM-UHFFFAOYSA-N
Formula
C20H19BrN2O3S
Mass
447.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzonitriles
Intermediate Tree Nodes
Not available
Direct Parent
Benzonitriles
Alternative Parents
Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Bromobenzenes Morpholines Aryl bromides Thioamides Nitriles Dialkyl ethers Thiocarboxylic acid amides Azacyclic compounds Oxacyclic compounds Organobromides Thiocarbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxy compound - Anisole - Benzonitrile - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Morpholine - Oxazinane - Thioamide - Oxacycle - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Thiocarboxylic acid amide - Carbonitrile - Nitrile - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Thiocarbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors
Not available