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

Systemtic Name: 8-azanyl-7-(phenylmethylsulfanyl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one Openeye Name: 8-amino-7-benzylsulfanyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one CAS Name: 8-amino-7-(phenylmethylthio)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one IUPAC Name: 8-amino-7-benzylsulfanyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one Traditional Name: 8-amino-7-(benzylthio)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one Formula: C12H11N5OS MolecularWeight: 273.31364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C3=NNC(=O)N3C=N2)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C3=NNC(=O)N3C=N2)N

InChI

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