6-(1-methylbenzotriazol-5-yl)-2-methylsulfanyl-pyrimidin-4-olate

Systemtic Name: 6-(1-methylbenzotriazol-5-yl)-2-methylsulfanyl-pyrimidin-4-olate Openeye Name: 6-(1-methylbenzotriazol-5-yl)-2-methylsulfanyl-pyrimidin-4-olate CAS Name: 6-(1-methyl-5-benzotriazolyl)-2-(methylthio)-4-pyrimidinolate IUPAC Name: 6-(1-methylbenzotriazol-5-yl)-2-methylsulfanylpyrimidin-4-olate Traditional Name: 6-(1-methylbenzotriazol-5-yl)-2-(methylthio)pyrimidin-4-olate Formula: C12H10N5OS- MolecularWeight: 272.3057

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C3=CC(=NC(=N3)SC)[O-])N=N1

Isomeric SMILES

CN1C2=C(C=C(C=C2)C3=CC(=NC(=N3)SC)[O-])N=N1

InChI

InChI=1S/C12H11N5OS/c1-17-10-4-3-7(5-9(10)15-16-17)8-6-11(18)14-12(13-8)19-2/h3-6H,1-2H3,(H,13,14,18)/p-1