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)(CCc3ccccc3)C(=O)N12

InChI

InChI=1S/C15H17N3OS.ClH/c16-9-12-10-20-13-8-15(17,14(19)18(12)13)7-6-11-4-2-1-3-5-11;/h1-5,12-13H,6-8,10,17H2;1H/t12-,13+,15-;/m1./s1

InChIKey LOFZCAZPXULFIJ-ZCGPAKHCSA-N

Molecular Weight

323.85