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

Systemtic Name: 5-(pyridin-2-ylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-(2-pyridylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 5-[(2-pyridinylthio)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-(pyridin-2-ylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-[(2-pyridylthio)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C11H9N5OS MolecularWeight: 259.28706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCC2=CC(=O)N3C(=N2)N=CN3

Isomeric SMILES

C1=CC=NC(=C1)SCC2=CC(=O)N3C(=N2)N=CN3

InChI

InChI=1S/C11H9N5OS/c17-10-5-8(15-11-13-7-14-16(10)11)6-18-9-3-1-2-4-12-9/h1-5,7H,6H2,(H,13,14,15)