Compound Identification
SMILES
NC1=C(C#N)C(C2=CC=C(Br)O2)C2=C(O1)C1=CC=CC=C1S2
InChIKey
InChIKey=XFDLMTZQPYZPRQ-UHFFFAOYSA-N
Formula
C16H9BrN2O2S
Mass
373.22
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Thienopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thienopyrans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thienopyrans
Alternative Parents
1-benzothiophenes Pyrans Benzenoids Aryl bromides Thiophenes Heteroaromatic compounds Furans Ketene acetals Oxacyclic compounds Nitriles Organopnictogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiophene - 1-benzothiophene - Thienopyran - Aryl bromide - Aryl halide - Pyran - Benzenoid - Furan - Heteroaromatic compound - Thiophene - Ketene acetal or derivatives - Carbonitrile - Nitrile - Oxacycle - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thienopyrans. These are heterocyclic compounds containing a thiophene ring fused to a pyran ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyran a six-membered heterocyclic, non-aromatic ring, made up of five carbon atoms and one oxygen atom and containing two double bonds.
External Descriptors
Not available