2,2-bis(chloranyl)ethyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: 2,2-bis(chloranyl)ethyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfanylethanoate Openeye Name: 2,2-dichloroethyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[[4-(1-pyrazolyl)-2-pyrimidinyl]thio]acetic acid 2,2-dichloroethyl ester IUPAC Name: 2,2-dichloroethyl 2-(4-pyrazol-1-ylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4-pyrazol-1-ylpyrimidin-2-yl)thio]acetic acid 2,2-dichloroethyl ester Formula: C11H10Cl2N4O2S MolecularWeight: 333.1937

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10Cl2N4O2S/c12-8(13)6-19-10(18)7-20-11-14-4-2-9(16-11)17-5-1-3-15-17/h1-5,8H,6-7H2