2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: 2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: 2-[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-(1-ethyl-3-methyl-4-pyrazolyl)-2-pyrimidinyl]thio]acetate IUPAC Name: 2-[4-(1-ethyl-3-methylpyrazol-4-yl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]thio]acetate Formula: C12H13N4O2S- MolecularWeight: 277.32222

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C2=NC(=NC=C2)SCC(=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C)C2=NC(=NC=C2)SCC(=O)[O-]

InChI

InChI=1S/C12H14N4O2S/c1-3-16-6-9(8(2)15-16)10-4-5-13-12(14-10)19-7-11(17)18/h4-6H,3,7H2,1-2H3,(H,17,18)/p-1