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 COc1ccc(/C(S)=N/c2ccccc2Cl)cc1OC1CCCC1

InChI

InChI=1S/C19H20ClNO2S/c1-22-17-11-10-13(12-18(17)23-14-6-2-3-7-14)19(24)21-16-9-5-4-8-15(16)20/h4-5,8-12,14H,2-3,6-7H2,1H3,(H,21,24)

InChIKey TZJUMNXKWAGZNN-UHFFFAOYSA-N

Molecular Weight

361.89