Compound Identification
SMILES
CC1=CC(C)=C(C=C1)N1C(=O)C(SC1=C(C#N)C#N)=CC1=CC=C(Br)C=C1
InChIKey
InChIKey=RGJMYLCQJUXJBC-UHFFFAOYSA-N
Formula
C21H14BrN3OS
Mass
436.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Xylenes
Intermediate Tree Nodes
Not available
Direct Parent
m-Xylenes
Alternative Parents
Bromobenzenes Aryl bromides Thiazoles Heteroaromatic compounds Lactams Nitriles Azacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
M-xylene - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Azole - Thiazole - Heteroaromatic compound - Lactam - Organoheterocyclic compound - Nitrile - Carbonitrile - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Cyanide - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as m-xylenes. These are aromatic compounds that contain a m-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 3-positions.
External Descriptors
Not available