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/c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1

InChI InChI=1S/C14H10ClF3N4OS/c15-11-5-9(14(16,17)18)7-20-12(11)23-10-3-1-8(2-4-10)6-21-22-13(19)24/h1-7H,(H3,19,22,24)/b21-6+

InChIKey KNKPKVLPPSVQLN-AERZKKPOSA-N

Molecular Weight

374.77