Compound Identification
SMILES
COC1=CC2=C(C=C1)N=C(N2)[S@@](=O)CC1=NC=C(C)C(OC)=C1C.CCOC1=CC(N)=C(Cl)C=C1C(=O)NCC1CN(CC2=CC=C(F)C=C2)CCO1
InChIKey
InChIKey=HQGKMLCPUZFXNA-CVECHAOQSA-N
Formula
C38H44ClFN6O6S
Mass
767.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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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
3-halobenzoic acids and derivatives Aminobenzamides Aminophenyl ethers Benzamides Aniline and substituted anilines Phenylmethylamines Phenoxy compounds Anisoles Benzoyl derivatives Benzylamines Alkyl aryl ethers Aralkylamines Methylpyridines Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Morpholines Imidazoles Heteroaromatic compounds Amino acids and derivatives Sulfoxides Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Sulfinyl compounds Dialkyl ethers Organic oxides Organochlorides Organofluorides Primary amines Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Sulfinylbenzimidazole - Aminobenzamide - Aminobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Aminophenyl ether - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Benzylamine - Phenol ether - Phenylmethylamine - Aniline or substituted anilines - Aralkylamine - Chlorobenzene - Fluorobenzene - Halobenzene - Methylpyridine - Alkyl aryl ether - Benzenoid - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyridine - Heteroaromatic compound - Azole - Imidazole - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Sulfoxide - Azacycle - Carboxylic acid derivative - Sulfinyl compound - Ether - Dialkyl ether - Oxacycle - Amine - Organic oxide - Organic oxygen compound - Organochloride - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary amine - Organic nitrogen compound - Organofluoride - Organosulfur compound - Organohalogen 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