Compound Identification
SMILES
CCC1=C(N=C(NC2=CC(OC)=C(C=C2)N2C=NC(C)=C2)N=C1C(O)=O)C1=CC=CS1
InChIKey
InChIKey=GOSREATZAGEXBW-UHFFFAOYSA-N
Formula
C22H21N5O3S
Mass
435.5
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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Subclass
Imidazoles
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Level 5
Substituted imidazoles
- Level 6 Phenylimidazoles
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Level 5
Substituted imidazoles
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Subclass
Imidazoles
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Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Imidazoles
Intermediate Tree Nodes
Substituted imidazoles
Direct Parent
Phenylimidazoles
Alternative Parents
Pyrimidinecarboxylic acids Methoxyanilines Phenoxy compounds Methoxybenzenes Imidazolyl carboxylic acids and derivatives Anisoles Alkyl aryl ethers Aminopyrimidines and derivatives N-substituted imidazoles Thiophenes Heteroaromatic compounds Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organic oxides Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylimidazole - Pyrimidine-6-carboxylic acid - Pyrimidine-6-carboxylic acid or derivatives - Methoxyaniline - Anisole - Imidazolyl carboxylic acid derivative - Phenol ether - Phenoxy compound - Aniline or substituted anilines - Methoxybenzene - Aminopyrimidine - Alkyl aryl ether - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Pyrimidine - Heteroaromatic compound - Thiophene - Azacycle - Ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
External Descriptors
Not available