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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NSC(=C2C#N)SCC(=O)N)F

Isomeric SMILES

C1=CC(=CC=C1CSC2=NSC(=C2C#N)SCC(=O)N)F

InChI

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