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(S)=N/N=C/c1cccc([N+](=O)[O-])c1

InChI InChI=1S/C8H8N4O2S/c9-8(15)11-10-5-6-2-1-3-7(4-6)12(13)14/h1-5H,(H3,9,11,15)/b10-5+

InChIKey LLRJOBJZEOGDLA-BJMVGYQFSA-N

Molecular Weight

224.25