2-ethylsulfanyl-5-methyl-6-pentyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 2-ethylsulfanyl-5-methyl-6-pentyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 2-ethylsulfanyl-5-methyl-6-pentyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 2-(ethylthio)-5-methyl-6-pentyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 2-ethylsulfanyl-5-methyl-6-pentyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 6-amyl-2-(ethylthio)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C13H20N4OS MolecularWeight: 280.3891

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N=C2N=C(NN2C1=O)SCC)C

Isomeric SMILES

CCCCCC1=C(N=C2N=C(NN2C1=O)SCC)C

InChI

InChI=1S/C13H20N4OS/c1-4-6-7-8-10-9(3)14-12-15-13(19-5-2)16-17(12)11(10)18/h4-8H2,1-3H3,(H,14,15,16)