5-bromanyl-6-(phenylmethylsulfanyl)-7H-[1,2,4]triazolo[1,5-a]pyrazin-8-one

Systemtic Name: 5-bromanyl-6-(phenylmethylsulfanyl)-7H-[1,2,4]triazolo[1,5-a]pyrazin-8-one Openeye Name: 6-benzylsulfanyl-5-bromo-7H-[1,2,4]triazolo[1,5-a]pyrazin-8-one CAS Name: 5-bromo-6-(phenylmethylthio)-7H-[1,2,4]triazolo[1,5-a]pyrazin-8-one IUPAC Name: 6-benzylsulfanyl-5-bromo-7H-[1,2,4]triazolo[1,5-a]pyrazin-8-one Traditional Name: 6-(benzylthio)-5-bromo-7H-[1,2,4]triazolo[1,5-a]pyrazin-8-one Formula: C12H9BrN4OS MolecularWeight: 337.19506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(N3C(=NC=N3)C(=O)N2)Br

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(N3C(=NC=N3)C(=O)N2)Br

InChI

InChI=1S/C12H9BrN4OS/c13-9-12(19-6-8-4-2-1-3-5-8)16-11(18)10-14-7-15-17(9)10/h1-5,7H,6H2,(H,16,18)