5-chloranyl-2-[(2-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxylate

Systemtic Name: 5-chloranyl-2-[(2-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxylate Openeye Name: 5-chloro-2-[(2-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(2-fluorophenyl)methylthio]-4-pyrimidinecarboxylate IUPAC Name: 5-chloro-2-[(2-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-[(2-fluorobenzyl)thio]pyrimidine-4-carboxylate Formula: C12H7ClFN2O2S- MolecularWeight: 297.712583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8ClFN2O2S/c13-8-5-15-12(16-10(8)11(17)18)19-6-7-3-1-2-4-9(7)14/h1-5H,6H2,(H,17,18)/p-1