5-methyl-2-(3-pentylsulfanylpropylsulfanyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-methyl-2-(3-pentylsulfanylpropylsulfanyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-methyl-2-(3-pentylsulfanylpropylsulfanyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 5-methyl-2-[3-(pentylthio)propylthio]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-methyl-2-(3-pentylsulfanylpropylsulfanyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 2-[3-(amylthio)propylthio]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C14H22N4OS2 MolecularWeight: 326.48068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSCCCSC1=NC2=NC(=CC(=O)N2N1)C

Isomeric SMILES

CCCCCSCCCSC1=NC2=NC(=CC(=O)N2N1)C

InChI

InChI=1S/C14H22N4OS2/c1-3-4-5-7-20-8-6-9-21-14-16-13-15-11(2)10-12(19)18(13)17-14/h10H,3-9H2,1-2H3,(H,15,16,17)