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

Systemtic Name: 2-[[4-cyano-5-(phenylmethylsulfanyl)-1,2-thiazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-(5-benzylsulfanyl-4-cyano-isothiazol-3-yl)sulfanylacetamide CAS Name: 2-[[4-cyano-5-(phenylmethylthio)-3-isothiazolyl]thio]acetamide IUPAC Name: 2-[(5-benzylsulfanyl-4-cyano-1,2-thiazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[[5-(benzylthio)-4-cyano-isothiazol-3-yl]thio]acetamide Formula: C13H11N3OS3 MolecularWeight: 321.44094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3OS3/c14-6-10-12(18-8-11(15)17)16-20-13(10)19-7-9-4-2-1-3-5-9/h1-5H,7-8H2,(H2,15,17)