Compound Identification
SMILES
COC1=C(OCC2=CC=CC=C2C#N)C(I)=CC(C=C2C(=N)N3N=C(SC3=NC2=O)C(C)C)=C1
InChIKey
InChIKey=JQZABSHOOVKEAA-UHFFFAOYSA-N
Formula
C24H20IN5O3S
Mass
585.42
Taxonomic Classification
Taxonomy Tree
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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
Phenoxy compounds Anisoles Methoxybenzenes Pyrimidones Alkyl aryl ethers Iodobenzenes Imidolactams Hydropyrimidines Aryl iodides Thiadiazolines N-acylimines Propargyl-type 1,3-dipolar organic compounds Amidines Nitriles Carboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organoiodides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxy compound - Anisole - Phenol ether - Benzonitrile - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Halobenzene - Iodobenzene - Aryl halide - Pyrimidine - Imidolactam - 1,4,5,6-tetrahydropyrimidine - Hydropyrimidine - Aryl iodide - Thiadiazoline - N-acylimine - Amidine - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carbonitrile - Nitrile - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organohalogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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