methyl 2-[4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-(4-chloro-3,5-dimethyl-1-pyrazolyl)-2-pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)pyrimidin-2-yl]thio]acetic acid methyl ester Formula: C12H13ClN4O2S MolecularWeight: 312.77522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=NC(=NC=C2)SCC(=O)OC)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=NC(=NC=C2)SCC(=O)OC)C)Cl

InChI

InChI=1S/C12H13ClN4O2S/c1-7-11(13)8(2)17(16-7)9-4-5-14-12(15-9)20-6-10(18)19-3/h4-5H,6H2,1-3H3