methyl 2-(3-cyano-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: methyl 2-(3-cyano-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-2-yl)sulfanylethanoate Openeye Name: methyl 2-(3-cyano-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(3-cyano-5,7-dimethyl-2-pyrazolo[1,5-a]pyrimidinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-5,7-dimethyl-pyrazolo[1,5-a]pyrimidin-2-yl)thio]acetic acid methyl ester Formula: C12H12N4O2S MolecularWeight: 276.31428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C(C(=NN12)SCC(=O)OC)C#N)C

Isomeric SMILES

CC1=CC(=NC2=C(C(=NN12)SCC(=O)OC)C#N)C

InChI

InChI=1S/C12H12N4O2S/c1-7-4-8(2)16-11(14-7)9(5-13)12(15-16)19-6-10(17)18-3/h4H,6H2,1-3H3