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 O=[N+]([O-])c1cc(-c2nc(-c3ccccn3)no2)cs1

InChI InChI=1S/C11H6N4O3S/c16-15(17)9-5-7(6-19-9)11-13-10(14-18-11)8-3-1-2-4-12-8/h1-6H

InChIKey WEEMTLZDWQOOKJ-UHFFFAOYSA-N

Molecular Weight

274.26