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

Systemtic Name: 2-[2-(2-chlorophenyl)-5-cyano-6-methyl-pyrimidin-4-yl]sulfanylethanoic acid Openeye Name: 2-[2-(2-chlorophenyl)-5-cyano-6-methyl-pyrimidin-4-yl]sulfanylacetic acid CAS Name: 2-[[2-(2-chlorophenyl)-5-cyano-6-methyl-4-pyrimidinyl]thio]acetic acid IUPAC Name: 2-[2-(2-chlorophenyl)-5-cyano-6-methylpyrimidin-4-yl]sulfanylacetic acid Traditional Name: 2-[[2-(2-chlorophenyl)-5-cyano-6-methyl-pyrimidin-4-yl]thio]acetic acid Formula: C14H10ClN3O2S MolecularWeight: 319.7661

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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)