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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C2N1NC(=N2)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)N=C2N1NC(=N2)SCC3=CC=CC=C3

InChI

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