Compound Identification
SMILES
OC(=O)C(CCN1N=NC2=CC=CC=C2C1=O)S(=O)(=O)CCC1=CC=C(C=C1)C1=CC=C(C=C1)C#N
InChIKey
InChIKey=QXINLCNFUOBUMK-UHFFFAOYSA-N
Formula
C26H22N4O5S
Mass
502.55
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
Benzo-1,2,3-triazines Benzonitriles Triazinones Thia fatty acids 1,2,3-triazines Sulfones Heteroaromatic compounds Lactams Nitriles Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Biphenylcarbonitrile - Benzo-1,2,3-triazine - Benzonitrile - Thia fatty acid - Triazinone - 1,2,3-triazine - Fatty acyl - Triazine - Sulfone - Sulfonyl - Heteroaromatic compound - Lactam - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Cyanide - Aromatic heteropolycyclic 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