thumb|right|upright=1.1|alt=General structure of an isothiocyanate.|General structure of an isothiocyanate.
thumb|right|upright=1.1|alt=General structure of an isothiocyanate.|General structure of an isothiocyanate.
In organic chemistry, isothiocyanate is a functional group as found in compounds with the formula . Isothiocyanates are the more common isomers of thiocyanates, which have the formula .
Discovered by embedding cosine similarity (sentence-transformers MiniLM, 384-dim).