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

Systemtic Name: ethyl 2-[4-(4-cyanopyrazol-1-yl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-(4-cyanopyrazol-1-yl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-(4-cyano-1-pyrazolyl)-2-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-cyanopyrazol-1-yl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(4-cyanopyrazol-1-yl)pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C12H11N5O2S MolecularWeight: 289.31304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N5O2S/c1-2-19-11(18)8-20-12-14-4-3-10(16-12)17-7-9(5-13)6-15-17/h3-4,6-7H,2,8H2,1H3