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

Systemtic Name: ethyl (6S)-3-(3-chloranyl-4-fluoranyl-phenyl)-6-(4-imidazol-1-ylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-(3-chloro-4-fluoro-phenyl)-6-(4-imidazol-1-ylphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-(3-chloro-4-fluorophenyl)-6-[4-(1-imidazolyl)phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-(3-chloro-4-fluorophenyl)-6-(4-imidazol-1-ylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(3-chloro-4-fluoro-phenyl)-6-(4-imidazol-1-ylphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H20ClFN4O2S MolecularWeight: 470.946903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)N3C=CN=C3)C4=CC(=C(C=C4)F)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N[C@H]1C2=CC=C(C=C2)N3C=CN=C3)C4=CC(=C(C=C4)F)Cl)C

InChI

InChI=1S/C23H20ClFN4O2S/c1-3-31-22(30)20-14(2)29(17-8-9-19(25)18(24)12-17)23(32)27-21(20)15-4-6-16(7-5-15)28-11-10-26-13-28/h4-13,21H,3H2,1-2H3,(H,27,32)/t21-/m0/s1