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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NSC(=C2C#N)SCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NSC(=C2C#N)SCC(=O)N

InChI

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