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

Systemtic Name: 1-(azepan-1-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]ethanone Formula: C11H17N3OS3 MolecularWeight: 303.46718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N3OS3/c1-16-10-12-11(18-13-10)17-8-9(15)14-6-4-2-3-5-7-14/h2-8H2,1H3