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

Systemtic Name: ethyl (6S)-3-(4-chlorophenyl)-6-(4-imidazol-1-ylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-(4-chlorophenyl)-6-(4-imidazol-1-ylphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-(4-chlorophenyl)-6-[4-(1-imidazolyl)phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-(4-chlorophenyl)-6-(4-imidazol-1-ylphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(4-chlorophenyl)-6-(4-imidazol-1-ylphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H21ClN4O2S MolecularWeight: 452.95644

Click to see the large picture

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)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)Cl)C

InChI

InChI=1S/C23H21ClN4O2S/c1-3-30-22(29)20-15(2)28(19-10-6-17(24)7-11-19)23(31)26-21(20)16-4-8-18(9-5-16)27-13-12-25-14-27/h4-14,21H,3H2,1-2H3,(H,26,31)/t21-/m0/s1