(2-chloranyl-4-fluoranyl-phenyl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (2-chloranyl-4-fluoranyl-phenyl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (2-chloro-4-fluoro-phenyl)methyl 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (2-chloro-4-fluorophenyl)methyl ester IUPAC Name: (2-chloro-4-fluorophenyl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (2-chloro-4-fluoro-benzyl) ester Formula: C13H12ClFN2O2S MolecularWeight: 314.762983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OCC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OCC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C13H12ClFN2O2S/c1-7-10(5-16-13(20)17-7)12(18)19-6-8-2-3-9(15)4-11(8)14/h2-4H,5-6H2,1H3,(H2,16,17,20)