Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C(=C\NC(=S)C1=CC=NC=C1)\C#N
InChIKey
InChIKey=VFTYAZOPAZUAQH-RVDMUPIBSA-N
Formula
C16H13N3O2S2
Mass
343.42
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
Benzenesulfonyl compounds Pyridines and derivatives Thioamides Sulfones Heteroaromatic compounds Thiocarboxylic acid amides Nitriles Azacyclic compounds Thiocarbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Tosyl compound - Benzenesulfonyl group - Pyridine - Sulfone - Sulfonyl - Thioamide - Heteroaromatic compound - Carbonitrile - Nitrile - Thiocarboxylic acid amide - Organoheterocyclic compound - Azacycle - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Thiocarbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organosulfur 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