Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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