Compound Identification
SMILES
CCNC1=C(NC2=NC(=O)C(S2)=C2SCC(C3=CC(OC)=CC=C3)[N+]2(C)CC2=CC=CC=C2)C=C(C=C1)C#N
InChIKey
InChIKey=NCMWBPALQSLKGT-UHFFFAOYSA-O
Formula
C30H30N5O2S2
Mass
556.72
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
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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
Aniline and substituted anilines Anisoles Benzylamines Methoxybenzenes Phenoxy compounds Phenylalkylamines Alkyl aryl ethers Secondary alkylarylamines Vinylogous thioesters Quaternary ammonium salts Thiazolidines Thiazolines N-acylimines Amino acids and derivatives Isothioureas Azacyclic compounds Nitriles Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Anisole - Phenoxy compound - Benzonitrile - Benzylamine - Phenol ether - Aniline or substituted anilines - Phenylalkylamine - Methoxybenzene - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Vinylogous thioester - Meta-thiazoline - Thiazolidine - Quaternary ammonium salt - Amino acid or derivatives - Isothiourea - N-acylimine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Cyanide - Amine - Organic cation - 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