4-(2-chloranyl-6-fluoranyl-phenyl)-3-ethyl-6-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 4-(2-chloranyl-6-fluoranyl-phenyl)-3-ethyl-6-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 4-(2-chloro-6-fluoro-phenyl)-3-ethyl-6-phenyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 4-(2-chloro-6-fluorophenyl)-3-ethyl-6-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 4-(2-chloro-6-fluorophenyl)-3-ethyl-6-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 4-(2-chloro-6-fluoro-phenyl)-3-ethyl-6-phenyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid Formula: C19H16ClFN2O2S MolecularWeight: 390.858943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(=C(NC1=S)C2=CC=CC=C2)C(=O)O)C3=C(C=CC=C3Cl)F

Isomeric SMILES

CCN1C(C(=C(NC1=S)C2=CC=CC=C2)C(=O)O)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C19H16ClFN2O2S/c1-2-23-17(14-12(20)9-6-10-13(14)21)15(18(24)25)16(22-19(23)26)11-7-4-3-5-8-11/h3-10,17H,2H2,1H3,(H,22,26)(H,24,25)