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 Cl.O=C1CN2Cc3c(sc4ccccc34)N=C2N1

InChI InChI=1S/C12H9N3OS.ClH/c16-10-6-15-5-8-7-3-1-2-4-9(7)17-11(8)14-12(15)13-10;/h1-4H,5-6H2,(H,13,14,16);1H

InChIKey FNDYVUONRGUWSJ-UHFFFAOYSA-N

Molecular Weight

279.75