6-(2-chloranyl-6-fluoranyl-phenyl)-N-(2,4-dimethylphenyl)-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide

Systemtic Name: 6-(2-chloranyl-6-fluoranyl-phenyl)-N-(2,4-dimethylphenyl)-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Openeye Name: 6-(2-chloro-6-fluoro-phenyl)-N-(2,4-dimethylphenyl)-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide CAS Name: 6-(2-chloro-6-fluorophenyl)-N-(2,4-dimethylphenyl)-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide IUPAC Name: 6-(2-chloro-6-fluorophenyl)-N-(2,4-dimethylphenyl)-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Traditional Name: 6-(2-chloro-6-fluoro-phenyl)-N-(2,4-dimethylphenyl)-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide Formula: C22H23ClFN3OS MolecularWeight: 431.953923

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=C(C=CC=C2Cl)F)C(=O)NC3=C(C=C(C=C3)C)C)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=C(C=CC=C2Cl)F)C(=O)NC3=C(C=C(C=C3)C)C)C

InChI

InChI=1S/C22H23ClFN3OS/c1-5-27-14(4)18(21(28)25-17-10-9-12(2)11-13(17)3)20(26-22(27)29)19-15(23)7-6-8-16(19)24/h6-11,20H,5H2,1-4H3,(H,25,28)(H,26,29)