Compound Identification
SMILES
CS(O)(=O)=O.CNCC1=NN=C2CN=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N12
InChIKey
InChIKey=XBBBHTCBPLIACE-UHFFFAOYSA-N
Formula
C19H20ClN5O3S
Mass
433.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
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Class
Benzodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodiazepines
Subclass
1,4-benzodiazepines
Intermediate Tree Nodes
Not available
Direct Parent
1,2,4-triazolo[4,3-a][1,4]benzodiazepines
Alternative Parents
Aralkylamines Aryl chlorides Benzene and substituted derivatives Triazoles Sulfonyls Alkanesulfonic acids Organosulfonic acids Methanesulfonates Heteroaromatic compounds Ketimines Propargyl-type 1,3-dipolar organic compounds Dialkylamines Azacyclic compounds Organic oxides Organochlorides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
1,2,4-triazolo[4,3-a][1,4]benzodiazepine - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - 1,2,4-triazole - Alkanesulfonic acid - Heteroaromatic compound - Ketimine - Azacycle - Organic 1,3-dipolar compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Secondary aliphatic amine - Amine - Organochloride - Organohalogen compound - Organopnictogen compound - Organonitrogen compound - Imine - Organic oxide - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,2,4-triazolo[4,3-a][1,4]benzodiazepines. These are aromatic compounds containing a 1,4-benzodiazepine fused to and sharing a nitrogen atom with a 1,2,4-triazole ring.
External Descriptors
Not available