2-[2-(2-chlorophenyl)-5-cyano-6-methyl-pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: 2-[2-(2-chlorophenyl)-5-cyano-6-methyl-pyrimidin-4-yl]sulfanylethanoate Openeye Name: 2-[2-(2-chlorophenyl)-5-cyano-6-methyl-pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[2-(2-chlorophenyl)-5-cyano-6-methyl-4-pyrimidinyl]thio]acetate IUPAC Name: 2-[2-(2-chlorophenyl)-5-cyano-6-methylpyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[2-(2-chlorophenyl)-5-cyano-6-methyl-pyrimidin-4-yl]thio]acetate Formula: C14H9ClN3O2S- MolecularWeight: 318.75816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2Cl)SCC(=O)[O-])C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2Cl)SCC(=O)[O-])C#N

InChI

InChI=1S/C14H10ClN3O2S/c1-8-10(6-16)14(21-7-12(19)20)18-13(17-8)9-4-2-3-5-11(9)15/h2-5H,7H2,1H3,(H,19,20)/p-1