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

Systemtic Name: ethyl 2-[4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C13H15ClN4O2S MolecularWeight: 326.8018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC=CC(=N1)N2C(=C(C(=N2)C)Cl)C

Isomeric SMILES

CCOC(=O)CSC1=NC=CC(=N1)N2C(=C(C(=N2)C)Cl)C

InChI

InChI=1S/C13H15ClN4O2S/c1-4-20-11(19)7-21-13-15-6-5-10(16-13)18-9(3)12(14)8(2)17-18/h5-6H,4,7H2,1-3H3