5-(2-methoxy-2-oxidanylidene-ethyl)-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate

Systemtic Name: 5-(2-methoxy-2-oxidanylidene-ethyl)-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate Openeye Name: 5-(2-methoxy-2-oxo-ethyl)-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate CAS Name: 5-(2-methoxy-2-oxoethyl)-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate IUPAC Name: 5-(2-methoxy-2-oxoethyl)-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate Traditional Name: 5-(2-keto-2-methoxy-ethyl)-2-(methylthio)-[1,2,4]triazolo[1,5-a]pyrimidin-7-olate Formula: C9H9N4O3S- MolecularWeight: 253.25776

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=NC2=NC(=NN2C(=C1)[O-])SC

Isomeric SMILES

COC(=O)CC1=NC2=NC(=NN2C(=C1)[O-])SC

InChI

InChI=1S/C9H10N4O3S/c1-16-7(15)4-5-3-6(14)13-8(10-5)11-9(12-13)17-2/h3,14H,4H2,1-2H3/p-1