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

Systemtic Name: 2-[[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1,2-thiazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-isothiazol-3-yl]sulfanylacetamide CAS Name: 2-[[5-[(2-chlorophenyl)methylthio]-4-cyano-3-isothiazolyl]thio]acetamide IUPAC Name: 2-[[5-[(2-chlorophenyl)methylsulfanyl]-4-cyano-1,2-thiazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[(2-chlorobenzyl)thio]-4-cyano-isothiazol-3-yl]thio]acetamide Formula: C13H10ClN3OS3 MolecularWeight: 355.886

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=C(C(=NS2)SCC(=O)N)C#N)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=C(C(=NS2)SCC(=O)N)C#N)Cl

InChI

InChI=1S/C13H10ClN3OS3/c14-10-4-2-1-3-8(10)6-20-13-9(5-15)12(17-21-13)19-7-11(16)18/h1-4H,6-7H2,(H2,16,18)