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=C(N)NS(=O)(=O)C(F)(F)F

InChI InChI=1S/C2H4F3N3O2S/c3-2(4,5)11(9,10)8-1(6)7/h(H4,6,7,8)

InChIKey JMNNQFRFFPDLTA-UHFFFAOYSA-N

Molecular Weight

191.13