5-methyl-2-(2-octylsulfanylethylsulfanyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-methyl-2-(2-octylsulfanylethylsulfanyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-methyl-2-(2-octylsulfanylethylsulfanyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 5-methyl-2-[2-(octylthio)ethylthio]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-methyl-2-(2-octylsulfanylethylsulfanyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-methyl-2-[2-(octylthio)ethylthio]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C16H26N4OS2 MolecularWeight: 354.53384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSCCSC1=NC2=NC(=CC(=O)N2N1)C

Isomeric SMILES

CCCCCCCCSCCSC1=NC2=NC(=CC(=O)N2N1)C

InChI

InChI=1S/C16H26N4OS2/c1-3-4-5-6-7-8-9-22-10-11-23-16-18-15-17-13(2)12-14(21)20(15)19-16/h12H,3-11H2,1-2H3,(H,17,18,19)