Compound Identification
SMILES
OC1=C(Br)C=C(\C=C2/OC(=S)N(C2=O)C2=CC=C(C=C2)C#N)C=C1
InChIKey
InChIKey=ZVKAMNIJEDYMNJ-NVNXTCNLSA-N
Formula
C17H9BrN2O3S
Mass
401.23
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
O-bromophenols Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Oxazolidinones Aryl bromides Thiocarbamic acid esters Oxacyclic compounds Nitriles Carboxylic acids and derivatives Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - 2-halophenol - 2-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Phenol - Aryl bromide - Aryl halide - Oxazolidinone - Oxazolidine - Thiocarbamic acid ester - Thiocarbamic acid derivative - Carboxylic acid derivative - Oxacycle - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl 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