Compound Identification
SMILES
CC(O)C1=NN=C2CN=C(C3=C(SC(Cl)=C3)N12)C1=CC=CC=C1Cl
InChIKey
InChIKey=HKNNMGZMYREACU-UHFFFAOYSA-N
Formula
C16H12Cl2N4OS
Mass
379.26
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 Aryl chlorides Triazoles Heteroaromatic compounds Secondary alcohols Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organochlorides Hydrocarbon derivatives Aromatic alcohols
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 - Benzenoid - Azole - 1,2,4-triazole - Thiophene - Heteroaromatic compound - Ketimine - Secondary alcohol - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Imine - Hydrocarbon derivative - Organic oxygen compound - Aromatic alcohol - Alcohol - Organic nitrogen compound - Organooxygen 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