Compound Identification
SMILES
COC1=CC=CC=C1N1C(SCC(=O)NC2=CC=CC=C2C)=NC2=C1C=CC(=C2)[N+]([O-])=O
InChIKey
InChIKey=RKAGGRHJGJCNBW-UHFFFAOYSA-N
Formula
C23H20N4O4S
Mass
448.5
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzimidazoles
- Subclass Phenylbenzimidazoles
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Class
Benzimidazoles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzimidazoles
Subclass
Phenylbenzimidazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylbenzimidazoles
Alternative Parents
Phenylimidazoles Methoxyanilines Anilides Anisoles Methoxybenzenes N-arylamides Nitroaromatic compounds Phenoxy compounds Toluenes Alkylarylthioethers Alkyl aryl ethers N-substituted imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Organic oxoazanium compounds Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylbenzimidazole - 1-phenylimidazole - Anilide - Methoxyaniline - N-arylamide - Phenoxy compound - Aryl thioether - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Toluene - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Carboxamide group - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Thioether - Carboxylic acid derivative - Ether - Organic oxoazanium - Azacycle - Organic zwitterion - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organosulfur compound - Organic salt - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group.
External Descriptors
Not available