5-chloranyl-2-[(3-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxylate

Systemtic Name: 5-chloranyl-2-[(3-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxylate Openeye Name: 5-chloro-2-[(3-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[(3-fluorophenyl)methylthio]-4-pyrimidinecarboxylate IUPAC Name: 5-chloro-2-[(3-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-[(3-fluorobenzyl)thio]pyrimidine-4-carboxylate Formula: C12H7ClFN2O2S- MolecularWeight: 297.712583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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