Compound Identification
SMILES
CC1CNC2=C(C=C(Cl)C=C2)N2C1=NN=C2C1=CC=CS1
InChIKey
InChIKey=KOHPHQCLTLKOPZ-UHFFFAOYSA-N
Formula
C15H13ClN4S
Mass
316.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Triazolodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Triazolodiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Triazolodiazepines
Alternative Parents
Secondary alkylarylamines Aralkylamines 1,4-diazepines Benzenoids Aryl chlorides Triazoles Thiophenes Heteroaromatic compounds Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triazolo-para-diazepine - Para-diazepine - Secondary aliphatic/aromatic amine - Aralkylamine - Aryl chloride - Aryl halide - Benzenoid - Heteroaromatic compound - Azole - Thiophene - 1,2,4-triazole - Azacycle - Secondary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as triazolodiazepines. These are heterocyclic aromatic compounds containing a triazole ring fused to a diazepine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Diazepine is a 7-membered ring consisting of five carbon and two nitrogen atoms.
External Descriptors
Not available