Compound Identification
SMILES
CC1=CC(C)=C(C=C1)N1C(=S)SC2=C1N=C(SCC#N)N(C2=O)C1=CC=CC=C1C
InChIKey
InChIKey=BTCFPZHTBKCDEU-UHFFFAOYSA-N
Formula
C22H18N4OS3
Mass
450.59
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organosulfur compounds
-
Class
Thioethers
- Subclass Aryl thioethers
-
Class
Thioethers
-
Superclass
Organosulfur compounds
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
Thioethers
Subclass
Aryl thioethers
Intermediate Tree Nodes
Not available
Direct Parent
Aryl thioethers
Alternative Parents
m-Xylenes Toluenes Pyrimidones Alkylarylthioethers Vinylogous amides Thiazoles Heteroaromatic compounds Lactams Sulfenyl compounds Nitriles Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl thioether - M-xylene - Xylene - Pyrimidone - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Vinylogous amide - Lactam - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
External Descriptors
Not available