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

Systemtic Name: 5-methyl-2-(phenylmethylsulfanyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 2-benzylsulfanyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 5-methyl-2-(phenylmethylthio)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 2-benzylsulfanyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 2-(benzylthio)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C13H12N4OS MolecularWeight: 272.32558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N2C(=N1)N=C(N2)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)N2C(=N1)N=C(N2)SCC3=CC=CC=C3

InChI

InChI=1S/C13H12N4OS/c1-9-7-11(18)17-12(14-9)15-13(16-17)19-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,15,16)