Compound Identification
SMILES
CC1=CC=CC=C1N=C1SC(=CC2=CC=C(Br)S2)C(=O)N1C1=CC=CC=C1C
InChIKey
InChIKey=WJDGIBWWDYAYEO-UHFFFAOYSA-N
Formula
C22H17BrN2OS2
Mass
469.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- 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
Toluenes
Alternative Parents
2,5-disubstituted thiophenes Aryl bromides Thiazolidines Heteroaromatic compounds Isothioureas Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Toluene - 2,5-disubstituted thiophene - Aryl bromide - Aryl halide - Thiazolidine - Thiophene - Heteroaromatic compound - Isothiourea - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
External Descriptors
Not available