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 CSc1sc(-c2ccc[nH]2)c2c1C(=O)CC(C)(C)C2

InChI InChI=1S/C15H17NOS2/c1-15(2)7-9-12(11(17)8-15)14(18-3)19-13(9)10-5-4-6-16-10/h4-6,16H,7-8H2,1-3H3

InChIKey JXEREIQAZLYXOP-UHFFFAOYSA-N

Molecular Weight

291.44