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

Systemtic Name: 2-methylsulfanyl-5-(phenylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-benzyl-2-methylsulfanyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 2-(methylthio)-5-(phenylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-benzyl-2-methylsulfanyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-benzyl-2-(methylthio)-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:

CSC1=NC2=NC(=CC(=O)N2N1)CC3=CC=CC=C3

Isomeric SMILES

CSC1=NC2=NC(=CC(=O)N2N1)CC3=CC=CC=C3

InChI

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