4-(4-fluoranyl-3-methyl-phenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylate

Systemtic Name: 4-(4-fluoranyl-3-methyl-phenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylate Openeye Name: 4-(4-fluoro-3-methyl-phenyl)-2-thioxo-1H-pyrimidine-6-carboxylate CAS Name: 4-(4-fluoro-3-methylphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylate IUPAC Name: 4-(4-fluoro-3-methylphenyl)-2-sulfanylidene-1H-pyrimidine-6-carboxylate Traditional Name: 4-(4-fluoro-3-methyl-phenyl)-2-thioxo-1H-pyrimidine-6-carboxylate Formula: C12H8FN2O2S- MolecularWeight: 263.267523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=NC(=S)NC(=C2)C(=O)[O-])F

Isomeric SMILES

CC1=C(C=CC(=C1)C2=NC(=S)NC(=C2)C(=O)[O-])F

InChI

InChI=1S/C12H9FN2O2S/c1-6-4-7(2-3-8(6)13)9-5-10(11(16)17)15-12(18)14-9/h2-5H,1H3,(H,16,17)(H,14,15,18)/p-1