Compound Identification
SMILES
COCC1=NN=C(O1)SCC1=CC=C(C=C1)C#N
InChIKey
InChIKey=MDJYWFYMSGMQJN-UHFFFAOYSA-N
Formula
C12H11N3O2S
Mass
261.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzonitriles
Intermediate Tree Nodes
Not available
Direct Parent
Benzonitriles
Alternative Parents
Alkylarylthioethers Heteroaromatic compounds 1,3,4-oxadiazoles Sulfenyl compounds Oxacyclic compounds Nitriles Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl thioether - Benzonitrile - Alkylarylthioether - 1,3,4-oxadiazole - Azole - Oxadiazole - Heteroaromatic compound - Dialkyl ether - Ether - Carbonitrile - Nitrile - Thioether - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Oxacycle - Organooxygen compound - Organosulfur compound - Cyanide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors
Not available