2-hexadecan-2-ylsulfanyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 2-hexadecan-2-ylsulfanyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-methyl-2-(1-methylpentadecylsulfanyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 2-(hexadecan-2-ylthio)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 2-hexadecan-2-ylsulfanyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-methyl-2-(1-methylpentadecylthio)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C22H38N4OS MolecularWeight: 406.62832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C)SC1=NC2=NC(=CC(=O)N2N1)C

Isomeric SMILES

CCCCCCCCCCCCCCC(C)SC1=NC2=NC(=CC(=O)N2N1)C

InChI

InChI=1S/C22H38N4OS/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19(3)28-22-24-21-23-18(2)17-20(27)26(21)25-22/h17,19H,4-16H2,1-3H3,(H,23,24,25)