S-(furan-2-ylmethyl) 4-(fluoranylmethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carbothioate

Systemtic Name: S-(furan-2-ylmethyl) 4-(fluoranylmethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carbothioate Openeye Name: S-(2-furylmethyl) 4-(fluoromethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carbothioate CAS Name: 4-(fluoromethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carbothioic acid S-(2-furanylmethyl) ester IUPAC Name: S-(furan-2-ylmethyl) 4-(fluoromethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carbothioate Traditional Name: 4-(fluoromethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carbothioic acid S-(2-furfuryl) ester Formula: C12H13FN2O2S2 MolecularWeight: 300.372223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)CF)C(=O)SCC2=CC=CO2

Isomeric SMILES

CC1=C(C(NC(=S)N1)CF)C(=O)SCC2=CC=CO2

InChI

InChI=1S/C12H13FN2O2S2/c1-7-10(9(5-13)15-12(18)14-7)11(16)19-6-8-3-2-4-17-8/h2-4,9H,5-6H2,1H3,(H2,14,15,18)