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 S=c1[nH]nc(Cc2ccc(Cl)cc2Oc2ccccc2Cl)[nH]1

InChI InChI=1S/C15H11Cl2N3OS/c16-10-6-5-9(7-14-18-15(22)20-19-14)13(8-10)21-12-4-2-1-3-11(12)17/h1-6,8H,7H2,(H2,18,19,20,22)

InChIKey QCGMRGYWHAXENF-UHFFFAOYSA-N

Molecular Weight

352.25