Compound Identification
SMILES
CC(C)(C#N)C1=CC(CN2C=NC=N2)=CC(CSC2=CC(Br)=C(OS(C)(=O)=O)C=C2)=C1
InChIKey
InChIKey=OEFULVXPMAPBMW-UHFFFAOYSA-N
Formula
C21H21BrN4O3S2
Mass
521.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylpropanes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylpropanes
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanes
Alternative Parents
Thiophenol ethers Phenoxy compounds Alkylarylthioethers Bromobenzenes Sulfonic acid esters Organosulfonic acid esters Aryl bromides Triazoles Sulfonyls Heteroaromatic compounds Methanesulfonates Sulfenyl compounds Azacyclic compounds Nitriles Organobromides Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylpropane - Phenoxy compound - Aryl thioether - Thiophenol ether - Bromobenzene - Halobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - Organosulfonic acid ester - Sulfonic acid ester - Organic sulfonic acid or derivatives - Methanesulfonate - 1,2,4-triazole - Heteroaromatic compound - Sulfonyl - Azole - Organosulfonic acid or derivatives - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Cyanide - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
External Descriptors
Not available