Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Toluenes

Intermediate Tree Nodes

Not available

Direct Parent

Tosyl compounds

Alternative Parents

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

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