2-(5-cyano-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylethanoate

Systemtic Name: 2-(5-cyano-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylethanoate Openeye Name: 2-(5-cyano-6-methyl-2-phenyl-pyrimidin-4-yl)sulfanylacetate CAS Name: 2-[(5-cyano-6-methyl-2-phenyl-4-pyrimidinyl)thio]acetate IUPAC Name: 2-(5-cyano-6-methyl-2-phenylpyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[(5-cyano-6-methyl-2-phenyl-pyrimidin-4-yl)thio]acetate Formula: C14H10N3O2S- MolecularWeight: 284.3131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC(=O)[O-])C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCC(=O)[O-])C#N

InChI

InChI=1S/C14H11N3O2S/c1-9-11(7-15)14(20-8-12(18)19)17-13(16-9)10-5-3-2-4-6-10/h2-6H,8H2,1H3,(H,18,19)/p-1