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 NS(=O)(=O)c1cc(C(=O)Cn2ccnc2)ccc1Cl

InChI InChI=1S/C11H10ClN3O3S/c12-9-2-1-8(5-11(9)19(13,17)18)10(16)6-15-4-3-14-7-15/h1-5,7H,6H2,(H2,13,17,18)

InChIKey GQFZORNDUUPFQK-UHFFFAOYSA-N

Molecular Weight

299.74