Compound Identification
SMILES
CCC1=C(C#N)C(=C(S1)C(O)=O)C1=CC=C(C=C1)C1=CC=CC=C1C#N
InChIKey
InChIKey=DHDGULJDTFTKGI-UHFFFAOYSA-N
Formula
C21H14N2O2S
Mass
358.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Biphenyls and derivatives
- Level 5 Biphenylcarbonitriles
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Subclass
Biphenyls and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Biphenylcarbonitriles
Alternative Parents
Thiophene carboxylic acids Benzonitriles Heteroaromatic compounds Nitriles Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Biphenylcarbonitrile - Benzonitrile - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - Thiophene - Heteroaromatic compound - Organoheterocyclic compound - Nitrile - Carbonitrile - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Cyanide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as biphenylcarbonitriles. These are organic compounds containing an acetonitrile with one hydrogen replaced by a biphenyl group.
External Descriptors
Not available