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

Systemtic Name: 2-(phenylmethylsulfanyl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 2-benzylsulfanyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 2-(phenylmethylthio)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 2-benzylsulfanyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 2-(benzylthio)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C15H16N4OS MolecularWeight: 300.37874

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N2C(=N1)N=C(N2)SCC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=O)N2C(=N1)N=C(N2)SCC3=CC=CC=C3

InChI

InChI=1S/C15H16N4OS/c1-2-6-12-9-13(20)19-14(16-12)17-15(18-19)21-10-11-7-4-3-5-8-11/h3-5,7-9H,2,6,10H2,1H3,(H,16,17,18)