Compound Identification
SMILES
NC1=C(C#N)C2=C(CSC3=CC=CC=C23)C(C2=CC=CC=C2)=C1C#N
InChIKey
InChIKey=BYKQOOKSPPJYPJ-UHFFFAOYSA-N
Formula
C21H13N3S
Mass
339.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzothiopyrans
- Subclass 2-benzothiopyrans
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Class
Benzothiopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiopyrans
Subclass
2-benzothiopyrans
Intermediate Tree Nodes
Not available
Direct Parent
2-benzothiopyrans
Alternative Parents
1-benzothiopyrans Alkylarylthioethers Benzene and substituted derivatives Nitriles Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzothiopyran - 2-benzothiopyran - Aryl thioether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Thioether - Nitrile - Carbonitrile - Organic nitrogen compound - Primary amine - Organonitrogen compound - Amine - Hydrocarbon derivative - Cyanide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-benzothiopyrans. These are organic aromatic compounds that 1-benzothiopyran, a bicyclic compound made up of a benzene ring fused to a thiopyran, so that the sulfur atom is at the 2-position.
External Descriptors
Not available