Compound Identification
SMILES
CCCC1=NN(CC(F)(F)F)C(OCC(=O)N2CCSCC2)=C1CC1=CC=C(C=C1)C1=CC=CC=C1C#N
InChIKey
InChIKey=DIKNNSXUARTFSX-UHFFFAOYSA-N
Formula
C28H29F3N4O2S
Mass
542.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
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Subclass
Biphenyls and derivatives
- Level 5 Biphenylcarbonitriles
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Subclass
Biphenyls and derivatives
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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
Benzonitriles Alkyl aryl ethers Thiomorpholines Tertiary carboxylic acid amides Pyrazoles Heteroaromatic compounds Nitriles Dialkylthioethers Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Biphenylcarbonitrile - Benzonitrile - Alkyl aryl ether - 1,4-thiazinane - Azole - Pyrazole - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Thioether - Azacycle - Nitrile - Carboxylic acid derivative - Ether - Carbonitrile - Dialkylthioether - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Cyanide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - 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