Compound Identification
SMILES
COC1=CC=C(C=C1)C1=C(NC(=N1)C1=CC(=CC=C1)[N+]([O-])=O)C(=O)NC1=NC=CS1
InChIKey
InChIKey=CNZRGPPICDBSNK-UHFFFAOYSA-N
Formula
C20H15N5O4S
Mass
421.43
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
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Imidazoles
Intermediate Tree Nodes
Substituted imidazoles
Direct Parent
Phenylimidazoles
Alternative Parents
Nitrobenzenes 2,4,5-trisubstituted imidazoles 2-heteroaryl carboxamides Anisoles Phenoxy compounds Methoxybenzenes Nitroaromatic compounds Alkyl aryl ethers Carbonylimidazoles Heteroaromatic compounds Thiazoles Secondary carboxylic acid amides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylimidazole - 5-phenylimidazole - 2-phenylimidazole - Nitrobenzene - 2-heteroaryl carboxamide - 2,4,5-trisubstituted-imidazole - Phenoxy compound - Nitroaromatic compound - Trisubstituted imidazole - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Imidazole-4-carbonyl group - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiazole - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Organic oxoazanium - Ether - Carboxylic acid derivative - Azacycle - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic salt - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - 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