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=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1ccc2ncccc2c1

InChI

InChI=1S/C19H12ClN3OS/c20-14-5-1-2-6-16(14)22-19-23-18(24)17(25-19)11-12-7-8-15-13(10-12)4-3-9-21-15/h1-11H,(H,22,23,24)/b17-11-

InChIKey FITCFFSJDIRDTL-BOPFTXTBSA-N

Molecular Weight

365.85