Compound Identification
SMILES
COC1=CC=C(CC2=NN=C(SCC(=O)NC3=C(C#N)C4=C(CCCC4)S3)N2C)C=C1
InChIKey
InChIKey=NNRACLAIDVLHFN-UHFFFAOYSA-N
Formula
C22H23N5O2S2
Mass
453.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenol ethers
- Subclass Anisoles
-
Class
Phenol ethers
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Anisoles
Intermediate Tree Nodes
Not available
Direct Parent
Anisoles
Alternative Parents
Phenoxy compounds N-arylamides Methoxybenzenes Alkylarylthioethers Alkyl aryl ethers Triazoles Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxy compound - Aryl thioether - Anisole - N-arylamide - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Azole - Thiophene - 1,2,4-triazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Sulfenyl compound - Thioether - Cyanide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
External Descriptors
Not available