1,3-dimethyl-5-methylsulfanyl-2H-[1,2,3]triazolo[4,5-d]pyrimidin-1-ium-7-one

Systemtic Name: 1,3-dimethyl-5-methylsulfanyl-2H-[1,2,3]triazolo[4,5-d]pyrimidin-1-ium-7-one Openeye Name: 1,3-dimethyl-5-methylsulfanyl-2H-triazolo[4,5-d]pyrimidin-1-ium-7-one CAS Name: 1,3-dimethyl-5-(methylthio)-2H-triazolo[4,5-d]pyrimidin-1-ium-7-one IUPAC Name: 1,3-dimethyl-5-methylsulfanyl-2H-triazolo[4,5-d]pyrimidin-1-ium-7-one Traditional Name: 1,3-dimethyl-5-(methylthio)-2H-triazolo[4,5-d]pyrimidin-1-ium-7-one Formula: C7H10N5OS+ MolecularWeight: 212.2522

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=NC(=O)C2=[N+](N1)C)SC

Isomeric SMILES

CN1C2=NC(=NC(=O)C2=[N+](N1)C)SC

InChI

InChI=1S/C7H9N5OS/c1-11-4-5(12(2)10-11)8-7(14-3)9-6(4)13/h1-3H3/p+1