ethyl 2-[4-(4-ethylpyrazol-1-yl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-(4-ethylpyrazol-1-yl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-(4-ethylpyrazol-1-yl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-(4-ethyl-1-pyrazolyl)-2-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-ethylpyrazol-1-yl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(4-ethylpyrazol-1-yl)pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN(N=C1)C2=NC(=NC=C2)SCC(=O)OCC

Isomeric SMILES

CCC1=CN(N=C1)C2=NC(=NC=C2)SCC(=O)OCC

InChI

InChI=1S/C13H16N4O2S/c1-3-10-7-15-17(8-10)11-5-6-14-13(16-11)20-9-12(18)19-4-2/h5-8H,3-4,9H2,1-2H3