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 CN1C(=O)/C(=C/c2csc3ccccc23)NC1=S

InChI InChI=1S/C13H10N2OS2/c1-15-12(16)10(14-13(15)17)6-8-7-18-11-5-3-2-4-9(8)11/h2-7H,1H3,(H,14,17)/b10-6-

InChIKey MXSGAZJWFPCFMR-POHAHGRESA-N

Molecular Weight

274.37