5-chloranyl-2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]pyrimidine-4-carboxylic acid

Systemtic Name: 5-chloranyl-2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]pyrimidine-4-carboxylic acid Openeye Name: 5-chloro-2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]pyrimidine-4-carboxylic acid CAS Name: 5-chloro-2-[(2-chloro-6-fluorophenyl)methylthio]-4-pyrimidinecarboxylic acid IUPAC Name: 5-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxylic acid Traditional Name: 5-chloro-2-[(2-chloro-6-fluoro-benzyl)thio]pyrimidine-4-carboxylic acid Formula: C12H7Cl2FN2O2S MolecularWeight: 333.165583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)CSC2=NC=C(C(=N2)C(=O)O)Cl)F

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)CSC2=NC=C(C(=N2)C(=O)O)Cl)F

InChI

InChI=1S/C12H7Cl2FN2O2S/c13-7-2-1-3-9(15)6(7)5-20-12-16-4-8(14)10(17-12)11(18)19/h1-4H,5H2,(H,18,19)