5-azanyl-3-(phenylmethylsulfanyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one

Systemtic Name: 5-azanyl-3-(phenylmethylsulfanyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Openeye Name: 5-amino-3-benzylsulfanyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one CAS Name: 5-amino-3-(phenylmethylthio)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one IUPAC Name: 5-amino-3-benzylsulfanyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Traditional Name: 5-amino-3-(benzylthio)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one Formula: C12H11N5OS MolecularWeight: 273.31364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC3=NC(=O)C=C(N32)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC3=NC(=O)C=C(N32)N

InChI

InChI=1S/C12H11N5OS/c13-9-6-10(18)14-11-15-16-12(17(9)11)19-7-8-4-2-1-3-5-8/h1-6H,7,13H2,(H,14,15,18)