Compound Identification
SMILES
CCCCSC1(SCCCC)[NH+]=C(N)[C@@]2(C#N)[C@H]3CC[C@@H](C=C3)[C@]12C#N
InChIKey
InChIKey=IKXHYTTVFRPNQZ-RWQQGDIJSA-O
Formula
C20H29N4S2
Mass
389.6
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoindoles and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isoindoles and derivatives
Alternative Parents
Pyrrolines Sulfenyl compounds Nitriles Dialkylthioethers Carboximidamides Carboxamidines Azacyclic compounds Hydrocarbon derivatives Amines Organic cations
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Isoindole or derivatives - Pyrroline - Amidine - Azacycle - Dialkylthioether - Carboxylic acid amidine - Sulfenyl compound - Carboximidamide - Thioether - Carbonitrile - Nitrile - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Amine - Organic cation - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoindoles and derivatives. These are polycyclic compounds containing an isoindole moiety, which is structurally characterized by a cyclohexadiene fused to a pyrrole ring.
External Descriptors
Not available