Compound Identification
SMILES
NC1=NC=NC2=C1N=C(SC1=CC=C(C=C1)N1C=CC=C1)N2CCCC#C
InChIKey
InChIKey=CWGISTTUWFSZCN-UHFFFAOYSA-N
Formula
C20H18N6S
Mass
374.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
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Subclass
Substituted pyrroles
- Level 5 Phenylpyrroles
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Subclass
Substituted pyrroles
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Class
Pyrroles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Substituted pyrroles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrroles
Alternative Parents
Diarylthioethers 6-aminopurines Thiophenol ethers Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Benzene and substituted derivatives Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Acetylides Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrole - Diarylthioether - 6-aminopurine - Imidazopyrimidine - Purine - Aryl thioether - Thiophenol ether - Aminopyrimidine - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Imidazole - Azole - Acetylide - Thioether - Azacycle - Sulfenyl compound - Organopnictogen compound - Primary amine - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
External Descriptors
Not available