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 O=C(O)C1=C(CSc2nc3ccccc3s2)CS[C@@H]2CC(=O)N12

InChI

InChI=1S/C15H12N2O3S3/c18-11-5-12-17(11)13(14(19)20)8(6-21-12)7-22-15-16-9-3-1-2-4-10(9)23-15/h1-4,12H,5-7H2,(H,19,20)/t12-/m1/s1

InChIKey RGEWWOQOZNSPFW-GFCCVEGCSA-N

Molecular Weight

364.47