Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C(C#N)=C1NC(C#N)=C(N=C1Cl)C#N
InChIKey
InChIKey=NFYJDARETVNKND-UHFFFAOYSA-N
Formula
C15H8ClN5O2S
Mass
357.77
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
- Level 5 Tosyl compounds
-
Subclass
Toluenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Tosyl compounds
Alternative Parents
Benzenesulfonyl compounds Sulfones Cyclic imidoyl halides Propargyl-type 1,3-dipolar organic compounds Nitriles Enamines Dialkylamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Tosyl compound - Benzenesulfonyl group - Sulfone - Cyclic imidoyl halide - Sulfonyl - Secondary aliphatic amine - Enamine - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Amine - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as tosyl compounds. These are organosulfur compounds containing a tosyl group, with the general formula CH3C6H4S(O2)R (R = any atom).
External Descriptors
Not available