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

Systemtic Name: methyl 4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-(4-fluorophenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-fluorophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-fluorophenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C18H15FN2O2S MolecularWeight: 342.387303

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C18H15FN2O2S/c1-23-17(22)14-15(11-5-3-2-4-6-11)20-18(24)21-16(14)12-7-9-13(19)10-8-12/h2-10,16H,1H3,(H2,20,21,24)