Compound Identification
SMILES
CCOC(=O)C(SC1=NC(OC2=CC=C(C=C2)C2=CC=CC(=C2)C#N)=CC(Cl)=N1)C1=CC=CC=C1
InChIKey
InChIKey=FJQIJJIKBFMBNB-UHFFFAOYSA-N
Formula
C27H20ClN3O3S
Mass
501.99
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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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
Diarylethers Phenoxy compounds Phenol ethers Benzonitriles Alkylarylthioethers Halopyrimidines Aryl chlorides Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Biphenylcarbonitrile - Diaryl ether - Phenoxy compound - Aryl thioether - Benzonitrile - Phenol ether - Halopyrimidine - Alkylarylthioether - Aryl chloride - Aryl halide - Pyrimidine - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Sulfenyl compound - Thioether - Organic oxide - Cyanide - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - 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