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

Systemtic Name: ethyl 2-[4-(4-phenylpyrazol-1-yl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-(4-phenylpyrazol-1-yl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-(4-phenyl-1-pyrazolyl)-2-pyrimidinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-phenylpyrazol-1-yl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(4-phenylpyrazol-1-yl)pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C17H16N4O2S MolecularWeight: 340.39954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC=CC(=N1)N2C=C(C=N2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CSC1=NC=CC(=N1)N2C=C(C=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H16N4O2S/c1-2-23-16(22)12-24-17-18-9-8-15(20-17)21-11-14(10-19-21)13-6-4-3-5-7-13/h3-11H,2,12H2,1H3