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(-c2cnc3[nH]cnc3c2)cnc1Cl)c1ccccc1

InChI

InChI=1S/C17H12ClN5O2S/c18-16-14(23-26(24,25)13-4-2-1-3-5-13)6-11(8-19-16)12-7-15-17(20-9-12)22-10-21-15/h1-10,23H,(H,20,21,22)

InChIKey ZYVPTSVWIYTTDD-UHFFFAOYSA-N

Molecular Weight

385.84