4-(2-chlorophenyl)-2-methylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(2-chlorophenyl)-2-methylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-chlorophenyl)-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-(2-chlorophenyl)-2-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-chlorophenyl)-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-(2-chlorophenyl)-2-(methylthio)pyrimidine-5-carboxylic acid Formula: C12H9ClN2O2S MolecularWeight: 280.73006

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C2=CC=CC=C2Cl)C(=O)O

Isomeric SMILES

CSC1=NC=C(C(=N1)C2=CC=CC=C2Cl)C(=O)O

InChI

InChI=1S/C12H9ClN2O2S/c1-18-12-14-6-8(11(16)17)10(15-12)7-4-2-3-5-9(7)13/h2-6H,1H3,(H,16,17)