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

Systemtic Name: 2-ethylsulfanyl-5-(phenylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-benzyl-2-ethylsulfanyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 2-(ethylthio)-5-(phenylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-benzyl-2-ethylsulfanyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-benzyl-2-(ethylthio)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Formula: C14H14N4OS MolecularWeight: 286.35216

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=NC(=CC(=O)N2N1)CC3=CC=CC=C3

Isomeric SMILES

CCSC1=NC2=NC(=CC(=O)N2N1)CC3=CC=CC=C3

InChI

InChI=1S/C14H14N4OS/c1-2-20-14-16-13-15-11(9-12(19)18(13)17-14)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,15,16,17)