STRUCTURE SEARCH

Structure Search

Enter SMILES or InChI, or draw a molecule, then choose a search mode to begin.

Structure input

Supports SMILES and InChI

Choose search mode

Confirm compounds that exactly match the current structure.

01

Supported Structure Inputs

Enter SMILES, InChI, or draw a molecule in the editor to locate exact or related chemical records.

  • SMILES and canonical SMILES
  • InChI and Mol structure files
  • Edit a result structure and search again
02

Search Modes

Choose exact, similarity, or substructure search depending on the sourcing and R&D question.

  • Exact match for target compound checks
  • Similarity search for alternatives
  • Substructure search for shared scaffolds
03

Result Filters

Refine results by keyword, CAS, and similarity score, then open product detail pages when records are available.

  • CAS and MDL identifiers
  • IUPAC, SMILES, and supplier fields
  • Structure previews and detail links