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

Systemtic Name: 5-propyl-3-(pyridin-2-ylmethylsulfanyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Openeye Name: 5-propyl-3-(2-pyridylmethylsulfanyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one CAS Name: 5-propyl-3-(2-pyridinylmethylthio)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one IUPAC Name: 5-propyl-3-(pyridin-2-ylmethylsulfanyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Traditional Name: 5-propyl-3-(2-pyridylmethylthio)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Formula: C14H15N5OS MolecularWeight: 301.3668

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C2N1C(=NN2)SCC3=CC=CC=N3

Isomeric SMILES

CCCC1=CC(=O)N=C2N1C(=NN2)SCC3=CC=CC=N3

InChI

InChI=1S/C14H15N5OS/c1-2-5-11-8-12(20)16-13-17-18-14(19(11)13)21-9-10-6-3-4-7-15-10/h3-4,6-8H,2,5,9H2,1H3,(H,16,17,20)