Compound Identification
SMILES
COC1=C(C2=CC=CC=C2)C(C2=CC=CC=C2)=C(SC)C(C#N)=C1C1=CC=CC=C1
InChIKey
InChIKey=NKRBKGSBWWVKRV-UHFFFAOYSA-N
Formula
C27H21NOS
Mass
407.53
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
Thiophenol ethers Phenoxy compounds Methoxybenzenes Benzonitriles Anisoles Alkylarylthioethers Alkyl aryl ethers Sulfenyl compounds Nitriles Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Biphenylcarbonitrile - Anisole - Benzonitrile - Phenol ether - Thiophenol ether - Methoxybenzene - Aryl thioether - Phenoxy compound - Alkyl aryl ether - Alkylarylthioether - Sulfenyl compound - Thioether - Nitrile - Ether - Carbonitrile - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Aromatic homomonocyclic 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