Compound Identification
SMILES
COC1=CC2=C(C=C1)N=C(N2CO[N+]([O-])=O)S(=O)CC1=NC=C(C)C(OC)=C1C
InChIKey
InChIKey=ANBZWEZXCDJNEZ-UHFFFAOYSA-N
Formula
C18H20N4O6S
Mass
420.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzimidazoles
- Subclass Sulfinylbenzimidazoles
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Class
Benzimidazoles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzimidazoles
Subclass
Sulfinylbenzimidazoles
Intermediate Tree Nodes
Not available
Direct Parent
Sulfinylbenzimidazoles
Alternative Parents
Anisoles Alkyl aryl ethers Methylpyridines N-substituted imidazoles Alkyl nitrates Heteroaromatic compounds Sulfoxides Organic nitric acids and derivatives Organic nitro compounds Azacyclic compounds Sulfinyl compounds Organic salts Hydrocarbon derivatives Organic zwitterions Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Sulfinylbenzimidazole - Anisole - Phenol ether - Alkyl aryl ether - Methylpyridine - N-substituted imidazole - Pyridine - Benzenoid - Azole - Imidazole - Organic nitrate - Heteroaromatic compound - Alkyl nitrate - Sulfoxide - Organic nitro compound - Organic nitric acid or derivatives - Ether - Sulfinyl compound - Azacycle - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as sulfinylbenzimidazoles. These are polycyclic aromatic compounds containing a sulfinyl group attached at the position 2 of a benzimidazole moiety.
External Descriptors
Not available