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 O=S(=O)(Nc1cc(-c2cnc3scnc3c2)cnc1Cl)c1ccccc1

InChI InChI=1S/C17H11ClN4O2S2/c18-16-14(22-26(23,24)13-4-2-1-3-5-13)6-11(8-19-16)12-7-15-17(20-9-12)25-10-21-15/h1-10,22H

InChIKey KKJLCITVXGVBEU-UHFFFAOYSA-N

Molecular Weight

402.89