Structure Information
Structure

Compound Identification

SMILES

Cc1ccc(cc1)S(O)(=O)=O.CN(C)CCc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12

InChIKey

InChIKey=GDOPCQJETORZLN-UHFFFAOYSA-N

Formula

C27H28ClN5O3S

Mass

538.06

Export to:

JSON SDF CSV

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 - P-methylbenzenesulfonate - Tosyl compound - Benzenesulfonate - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Aralkylamine - Toluene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - 1,2,4-triazole - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azole - Tertiary aliphatic amine - Tertiary amine - Ketimine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Imine - Amine - 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

Previous Back Next