Compound Identification
SMILES
NC(=O)C(C#N)=C1OC2=C(S1)C=C(O)C=C2C1=CC=CC=C1
InChIKey
InChIKey=FFQUEVCWMIZVHX-UHFFFAOYSA-N
Formula
C16H10N2O3S
Mass
310.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxathioles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxathioles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxathioles
Alternative Parents
Aryl thioethers 1-hydroxy-2-unsubstituted benzenoids Vinylogous thioesters Benzene and substituted derivatives Vinylogous esters Monothioacetals Primary carboxylic acid amides Ketene acetals Oxacyclic compounds Nitriles Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxathiole - Aryl thioether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Vinylogous thioester - Monothioacetal - Vinylogous ester - Carboxamide group - Ketene acetal or derivatives - Primary carboxylic acid amide - Nitrile - Carbonitrile - Carboxylic acid derivative - Oxacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Cyanide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxathioles. These are organic compounds containing a benzene fused to an oxathiole ring (a five-membered ring with four carbon atoms, one oxygen atom, and one sulfur atom).
External Descriptors
Not available