Structure Information
Structure

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

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzonitriles

Intermediate Tree Nodes

Not available

Direct Parent

Benzonitriles

Alternative Parents

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

Previous Back Next