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

Systemtic Name: methyl 2-[2-(4-chlorophenyl)-5-cyano-6-methyl-pyrimidin-4-yl]sulfanylethanoate Openeye Name: methyl 2-[2-(4-chlorophenyl)-5-cyano-6-methyl-pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[2-(4-chlorophenyl)-5-cyano-6-methyl-4-pyrimidinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-chlorophenyl)-5-cyano-6-methylpyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[2-(4-chlorophenyl)-5-cyano-6-methyl-pyrimidin-4-yl]thio]acetic acid methyl ester Formula: C15H12ClN3O2S MolecularWeight: 333.79268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Cl)SCC(=O)OC)C#N

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)Cl)SCC(=O)OC)C#N

InChI

InChI=1S/C15H12ClN3O2S/c1-9-12(7-17)15(22-8-13(20)21-2)19-14(18-9)10-3-5-11(16)6-4-10/h3-6H,8H2,1-2H3