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

Systemtic Name: 2-methyl-5-(pyridin-2-ylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 2-methyl-5-(2-pyridylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 2-methyl-5-[(2-pyridinylthio)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 2-methyl-5-(pyridin-2-ylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 2-methyl-5-[(2-pyridylthio)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C12H11N5OS MolecularWeight: 273.31364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=NC(=CC(=O)N2N1)CSC3=CC=CC=N3

Isomeric SMILES

CC1=NC2=NC(=CC(=O)N2N1)CSC3=CC=CC=N3

InChI

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