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

Systemtic Name: 2-ethyl-5-(pyridin-2-ylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 2-ethyl-5-(2-pyridylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 2-ethyl-5-[(2-pyridinylthio)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 2-ethyl-5-(pyridin-2-ylsulfanylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 2-ethyl-5-[(2-pyridylthio)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C13H13N5OS MolecularWeight: 287.34022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=NC(=CC(=O)N2N1)CSC3=CC=CC=N3

Isomeric SMILES

CCC1=NC2=NC(=CC(=O)N2N1)CSC3=CC=CC=N3

InChI

InChI=1S/C13H13N5OS/c1-2-10-16-13-15-9(7-12(19)18(13)17-10)8-20-11-5-3-4-6-14-11/h3-7H,2,8H2,1H3,(H,15,16,17)