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.N#C[C@@H]1CS[C@H]2C[C@](N)(c3ccccc3)C(=O)N12

InChI

InChI=1S/C13H13N3OS.ClH/c14-7-10-8-18-11-6-13(15,12(17)16(10)11)9-4-2-1-3-5-9;/h1-5,10-11H,6,8,15H2;1H/t10-,11+,13+;/m1./s1

InChIKey ILNXQYGLYLJMQH-CHZGQIEOSA-N

Molecular Weight

295.8