Compound Identification
SMILES
[Mg].CC(C)CC1=CC=C(C=C1)C(C)C(O)=O.COC1=CC2=C(C=C1)N=C(N2)S(=O)CC1=NC=C(C)C(OC)=C1C
InChIKey
InChIKey=GHOUCEFACAQLFV-UHFFFAOYSA-N
Formula
C30H37MgN3O5S
Mass
576.01
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
Phenylpropanoic acids Aromatic monoterpenoids Bicyclic monoterpenoids Phenylpropanes Anisoles Alkyl aryl ethers Methylpyridines Heteroaromatic compounds Imidazoles Sulfoxides Carboxylic acids Azacyclic compounds Sulfinyl compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
Molecular Framework
Not available
Substituents
2-phenylpropanoic-acid - Sulfinylbenzimidazole - P-cymene - Aromatic monoterpenoid - Monoterpenoid - Bicyclic monoterpenoid - Phenylpropane - Anisole - Phenol ether - Alkyl aryl ether - Methylpyridine - Monocyclic benzene moiety - Benzenoid - Pyridine - Azole - Heteroaromatic compound - Imidazole - Sulfoxide - Carboxylic acid - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Sulfinyl compound - Ether - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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