Compound Identification
SMILES
CCOC(=O)C1=C(N(C=N1)C1=NC(C)=C(Cl)S1)S(=O)CC1=CC=CC=C1
InChIKey
InChIKey=OLLOQUYFGCCIDS-UHFFFAOYSA-N
Formula
C17H16ClN3O3S2
Mass
409.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzyl sulfoxides
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzyl sulfoxides
Intermediate Tree Nodes
Not available
Direct Parent
Benzyl sulfoxides
Alternative Parents
2,4,5-trisubstituted thiazoles Carbonylimidazoles N-substituted imidazoles Aryl chlorides Vinylogous amides Heteroaromatic compounds Sulfoxides Carboxylic acid esters Sulfinyl compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzyl sulfoxide - 2,4,5-trisubstituted 1,3-thiazole - Imidazole-4-carbonyl group - Aryl chloride - Aryl halide - N-substituted imidazole - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Thiazole - Carboxylic acid ester - Sulfoxide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Sulfinyl compound - Organosulfur compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzyl sulfoxides. These are organosulfur compounds that contain a sulfoxide group substituted by a benzyl group. They have the general structure RS(=O)R' ( R=benzyl, R'=organyl).
External Descriptors
Not available