1-(azepan-1-yl)-3-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-one Openeye Name: 1-(azepan-1-yl)-3-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-one CAS Name: 1-(1-azepanyl)-3-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]propan-1-one Traditional Name: 1-(azepan-1-yl)-3-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]propan-1-one Formula: C12H19N3OS3 MolecularWeight: 317.49376

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NSC(=N1)SCCC(=O)N2CCCCCC2

Isomeric SMILES

CSC1=NSC(=N1)SCCC(=O)N2CCCCCC2

InChI

InChI=1S/C12H19N3OS3/c1-17-11-13-12(19-14-11)18-9-6-10(16)15-7-4-2-3-5-8-15/h2-9H2,1H3