Compound Identification
SMILES
CC1=CC=C(C=C1)[C@H]([NH+]1CCSCC1)C1=NN=NN1CCC1=CC=CC=C1
InChIKey
InChIKey=ONDBOJRMDBRDNH-FQEVSTJZSA-O
Formula
C21H26N5S
Mass
380.53
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
Aralkylamines Thiomorpholines Tetrazoles Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Dialkylthioethers Azacyclic compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Toluene - Aralkylamine - 1,4-thiazinane - Azole - Quaternary ammonium salt - Tetrazole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Thioether - Dialkylthioether - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organonitrogen compound - Organic cation - 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