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 CC/N=C(/S)N/N=C/c1ccc([N+](=O)[O-])cc1

InChI InChI=1S/C10H12N4O2S/c1-2-11-10(17)13-12-7-8-3-5-9(6-4-8)14(15)16/h3-7H,2H2,1H3,(H2,11,13,17)/b12-7+

InChIKey GLPPPSGIOPOESR-KPKJPENVSA-N

Molecular Weight

252.3