Identifier Cleaner

Convert between SMILES, InChI, InChIKey, and compound names. Supports PubChem name resolution as a fallback when the input is a common drug name.

Example: aspirin → CC(=O)Oc1ccccc1C(=O)O

Free Research Context Use this tool freely, then open the research home or demo workspace when you want project context.

Research home Demo workspace

Canonical SMILES N#Cc1ccc(-c2cnccc2NS(=O)(=O)c2ccccc2)cc1

InChI InChI=1S/C18H13N3O2S/c19-12-14-6-8-15(9-7-14)17-13-20-11-10-18(17)21-24(22,23)16-4-2-1-3-5-16/h1-11,13H,(H,20,21)

InChIKey SQNJBFIVUBQZGN-UHFFFAOYSA-N

Molecular Weight

335.39