2-[[4-cyano-5-[(4-fluorophenyl)methylsulfanyl]-1,2-thiazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[4-cyano-5-[(4-fluorophenyl)methylsulfanyl]-1,2-thiazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[4-cyano-5-[(4-fluorophenyl)methylsulfanyl]isothiazol-3-yl]sulfanylacetamide CAS Name: 2-[[4-cyano-5-[(4-fluorophenyl)methylthio]-3-isothiazolyl]thio]acetamide IUPAC Name: 2-[[4-cyano-5-[(4-fluorophenyl)methylsulfanyl]-1,2-thiazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-cyano-5-[(4-fluorobenzyl)thio]isothiazol-3-yl]thio]acetamide Formula: C13H10FN3OS3 MolecularWeight: 339.431403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=C(C(=NS2)SCC(=O)N)C#N)F

Isomeric SMILES

C1=CC(=CC=C1CSC2=C(C(=NS2)SCC(=O)N)C#N)F

InChI

InChI=1S/C13H10FN3OS3/c14-9-3-1-8(2-4-9)6-20-13-10(5-15)12(17-21-13)19-7-11(16)18/h1-4H,6-7H2,(H2,16,18)