Compound Identification
SMILES
O=C1CSC(=S)N1\N=C/C1=CC=C(O1)C1=CC=CC=C1C#N
InChIKey
InChIKey=ZRXCBNVYOSYKST-IUXPMGMMSA-N
Formula
C15H9N3O2S2
Mass
327.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
-
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
Thiazolidinethiones Heteroaromatic compounds Furans Oxacyclic compounds Nitriles Carboxylic acids and derivatives Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Thiazolidinethione - Furan - Thiazolidine - Heteroaromatic compound - Carboxylic acid derivative - Carbonitrile - Nitrile - Organoheterocyclic compound - Azacycle - Oxacycle - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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