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)(Cc3ccccc3)C(=O)N12

InChI

InChI=1S/C14H15N3OS.ClH/c15-8-11-9-19-12-7-14(16,13(18)17(11)12)6-10-4-2-1-3-5-10;/h1-5,11-12H,6-7,9,16H2;1H/t11-,12+,14-;/m1./s1

InChIKey XKKPMKPDEWKVBA-LQDWTQKMSA-N

Molecular Weight

309.82