Compound Identification
SMILES
CN1C=NC(=C1)S(=O)(=O)N(CC1=CSC=C1)[C@@H]1CC[C@H](C1)N(CC1=CN=CN1C)C1=CC=C(C=C1)C#N
InChIKey
InChIKey=KYXLNPSCIZSNCT-DNQXCXABSA-N
Formula
C26H29N7O2S2
Mass
535.69
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzonitriles
Intermediate Tree Nodes
Not available
Direct Parent
Benzonitriles
Alternative Parents
Dialkylarylamines Aniline and substituted anilines Aralkylamines Organosulfonamides N-substituted imidazoles Thiophenes Heteroaromatic compounds Aminosulfonyl compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aralkylamine - N-substituted imidazole - Organosulfonic acid amide - Imidazole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Azole - Organosulfonic acid or derivatives - Aminosulfonyl compound - Thiophene - Sulfonyl - Tertiary amine - Azacycle - Carbonitrile - Nitrile - Organoheterocyclic compound - Organonitrogen compound - Cyanide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Amine - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors
Not available