Compound Identification
SMILES
CC1=NC(SCS(=O)CC2=CC=C(Cl)C=C2)=C(C#N)C(C)=C1
InChIKey
InChIKey=NFQAAZRANRCRKV-UHFFFAOYSA-N
Formula
C16H15ClN2OS2
Mass
350.88
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzyl sulfoxides
- Level 5 Benzyl alkyl sulfoxides
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Subclass
Benzyl sulfoxides
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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 alkyl sulfoxides
Alternative Parents
3-pyridinecarbonitriles Methylpyridines Chlorobenzenes Alkylarylthioethers Aryl chlorides Heteroaromatic compounds Sulfoxides Sulfinyl compounds Sulfenyl compounds Nitriles Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzyl alkyl sulfoxide - Aryl thioether - 3-pyridinecarbonitrile - Chlorobenzene - Halobenzene - Methylpyridine - Alkylarylthioether - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Sulfoxide - Organoheterocyclic compound - Sulfenyl compound - Sulfinyl compound - Thioether - Azacycle - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzyl alkyl sulfoxides. These are organosulfur compounds that contain a sulfoxide group substituted by a benzyl group, and an alkyl group. They have the general structure RS(=O)R' ( R=benzyl, R'=alkyl).
External Descriptors
Not available