Compound Identification
SMILES
CC1=NC(SCC(=O)N2CC[NH+](CC3=CC=CS3)CC2)=C(C#N)C(C)=C1
InChIKey
InChIKey=MDERXCPXTNOLJA-UHFFFAOYSA-O
Formula
C19H23N4OS2
Mass
387.54
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organosulfur compounds
-
Class
Thioethers
- Subclass Aryl thioethers
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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
3-pyridinecarbonitriles Alkylarylthioethers Aralkylamines Methylpyridines N-alkylpiperazines Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Quaternary ammonium salts Amino acids and derivatives Trialkylamines Sulfenyl compounds Azacyclic compounds Nitriles Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl thioether - 3-pyridinecarbonitrile - N-alkylpiperazine - Alkylarylthioether - Aralkylamine - Methylpyridine - 1,4-diazinane - Piperazine - Pyridine - Thiophene - Tertiary carboxylic acid amide - Quaternary ammonium salt - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Carboxylic acid derivative - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Amine - Organic cation - Aromatic heteromonocyclic 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