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

Systemtic Name: 5-methyl-3-(pyridin-2-ylmethylsulfanyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Openeye Name: 5-methyl-3-(2-pyridylmethylsulfanyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one CAS Name: 5-methyl-3-(2-pyridinylmethylthio)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one IUPAC Name: 5-methyl-3-(pyridin-2-ylmethylsulfanyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Traditional Name: 5-methyl-3-(2-pyridylmethylthio)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Formula: C12H11N5OS MolecularWeight: 273.31364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C2N1C(=NN2)SCC3=CC=CC=N3

Isomeric SMILES

CC1=CC(=O)N=C2N1C(=NN2)SCC3=CC=CC=N3

InChI

InChI=1S/C12H11N5OS/c1-8-6-10(18)14-11-15-16-12(17(8)11)19-7-9-4-2-3-5-13-9/h2-6H,7H2,1H3,(H,14,15,18)