methyl (6S)-6-(2-chloranyl-6-fluoranyl-phenyl)-3-phenyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6S)-6-(2-chloranyl-6-fluoranyl-phenyl)-3-phenyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-6-(2-chloro-6-fluoro-phenyl)-3-phenyl-4-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(2-chloro-6-fluorophenyl)-3-phenyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-6-(2-chloro-6-fluorophenyl)-3-phenyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(2-chloro-6-fluoro-phenyl)-3-phenyl-4-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H20ClFN2O2S MolecularWeight: 418.912103

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=C(C=CC=C3Cl)F)C(=O)OC

Isomeric SMILES

CCCC1=C([C@H](NC(=S)N1C2=CC=CC=C2)C3=C(C=CC=C3Cl)F)C(=O)OC

InChI

InChI=1S/C21H20ClFN2O2S/c1-3-8-16-18(20(26)27-2)19(17-14(22)11-7-12-15(17)23)24-21(28)25(16)13-9-5-4-6-10-13/h4-7,9-12,19H,3,8H2,1-2H3,(H,24,28)/t19-/m1/s1