Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C1=C2C=CC=CN2C2=CN=C(Cl)N=C12
InChIKey
InChIKey=NBJCBULOUZARKT-UHFFFAOYSA-N
Formula
C17H12ClN3O2S
Mass
357.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Toluenes
- Level 5 Tosyl compounds
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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
Pyrrolopyrimidines Indolizines Benzenesulfonyl compounds 2-halopyrimidines Substituted pyrroles Pyridines and derivatives Aryl chlorides Sulfones Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tosyl compound - Benzenesulfonyl group - Indolizine - Pyrrolopyrimidine - Pyrrolopyridine - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Pyridine - Pyrimidine - Substituted pyrrole - Heteroaromatic compound - Sulfonyl - Sulfone - Pyrrole - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic 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