4-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-6-methyl-2-thiophen-2-yl-pyrimidine-5-carboxylate

Systemtic Name: 4-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-6-methyl-2-thiophen-2-yl-pyrimidine-5-carboxylate Openeye Name: 4-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-6-methyl-2-(2-thienyl)pyrimidine-5-carboxylate CAS Name: 4-[(2-chloro-4-fluorophenyl)methylthio]-6-methyl-2-thiophen-2-yl-5-pyrimidinecarboxylate IUPAC Name: 4-[(2-chloro-4-fluorophenyl)methylsulfanyl]-6-methyl-2-thiophen-2-ylpyrimidine-5-carboxylate Traditional Name: 4-[(2-chloro-4-fluoro-benzyl)thio]-6-methyl-2-(2-thienyl)pyrimidine-5-carboxylate Formula: C17H11ClFN2O2S2- MolecularWeight: 393.862843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CS2)SCC3=C(C=C(C=C3)F)Cl)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CS2)SCC3=C(C=C(C=C3)F)Cl)C(=O)[O-]

InChI

InChI=1S/C17H12ClFN2O2S2/c1-9-14(17(22)23)16(21-15(20-9)13-3-2-6-24-13)25-8-10-4-5-11(19)7-12(10)18/h2-7H,8H2,1H3,(H,22,23)/p-1