2-ethylsulfanyl-5-methyl-6-(phenylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 2-ethylsulfanyl-5-methyl-6-(phenylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Openeye Name: 6-benzyl-2-ethylsulfanyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one CAS Name: 2-(ethylthio)-5-methyl-6-(phenylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one IUPAC Name: 6-benzyl-2-ethylsulfanyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one Traditional Name: 6-benzyl-2-(ethylthio)-5-methyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4OS/c1-3-21-15-17-14-16-10(2)12(13(20)19(14)18-15)9-11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,16,17,18)