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

Systemtic Name: 7-oxidanyl-2-(phenylmethylsulfanyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one Openeye Name: 2-benzylsulfanyl-7-hydroxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one CAS Name: 7-hydroxy-2-(phenylmethylthio)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one IUPAC Name: 2-benzylsulfanyl-7-hydroxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one Traditional Name: 2-(benzylthio)-7-hydroxy-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one Formula: C12H10N4O2S MolecularWeight: 276.290942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=NC(=O)C=C(N3N2)O

Isomeric SMILES

C1=CC=C(C=C1)CS[14C]2=NC3=NC(=O)C=C(N3N2)O

InChI

InChI=1S/C12H10N4O2S/c17-9-6-10(18)16-11(13-9)14-12(15-16)19-7-8-4-2-1-3-5-8/h1-6,18H,7H2,(H,13,14,15,17)/i12+2