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

Systemtic Name: 5-methyl-2-(3-methylbutylsulfanyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 2-isopentylsulfanyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 5-methyl-2-(3-methylbutylthio)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-methyl-2-(3-methylbutylsulfanyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 2-(isoamylthio)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C11H16N4OS MolecularWeight: 252.33594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N2C(=N1)N=C(N2)SCCC(C)C

Isomeric SMILES

CC1=CC(=O)N2C(=N1)N=C(N2)SCCC(C)C

InChI

InChI=1S/C11H16N4OS/c1-7(2)4-5-17-11-13-10-12-8(3)6-9(16)15(10)14-11/h6-7H,4-5H2,1-3H3,(H,12,13,14)