Compound Identification
SMILES
CC1=NN=C2CN=C(C3=C(SC(=C3)C#CC3=CC=CC=N3)N12)C1=CC=CC=C1Cl
InChIKey
InChIKey=NTXIFGGWEOLGTP-UHFFFAOYSA-N
Formula
C22H14ClN5S
Mass
415.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Thienodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thienodiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thienodiazepines
Alternative Parents
2,3,5-trisubstituted thiophenes Chlorobenzenes 1,4-diazepines Pyridines and derivatives Aryl chlorides Triazoles Heteroaromatic compounds Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thieno-para-diazepine - 2,3,5-trisubstituted thiophene - Para-diazepine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Thiophene - 1,2,4-triazole - Azole - Ketimine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Imine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thienodiazepines. These are heteropolycyclic containing a thiophene ring fused to a diazepine ring. Thiophene is 5-membered ring consisting of four carbon and one sulfur atoms. Diazepine is a 7-membered ring consisting of five carbon and two nitrogen atoms.
External Descriptors
Not available