3-(3-chloranyl-4-fluoranyl-phenyl)-6-(3-ethoxy-4-oxidanyl-phenyl)-N,N,4-trimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-6-(3-ethoxy-4-oxidanyl-phenyl)-N,N,4-trimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-6-(3-ethoxy-4-hydroxy-phenyl)-N,N,4-trimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide CAS Name: 3-(3-chloro-4-fluorophenyl)-6-(3-ethoxy-4-hydroxyphenyl)-N,N,4-trimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide IUPAC Name: 3-(3-chloro-4-fluorophenyl)-6-(3-ethoxy-4-hydroxyphenyl)-N,N,4-trimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-6-(3-ethoxy-4-hydroxy-phenyl)-N,N,4-trimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxamide Formula: C22H23ClFN3O3S MolecularWeight: 463.952723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(N(C(=S)N2)C3=CC(=C(C=C3)F)Cl)C)C(=O)N(C)C)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(N(C(=S)N2)C3=CC(=C(C=C3)F)Cl)C)C(=O)N(C)C)O

InChI

InChI=1S/C22H23ClFN3O3S/c1-5-30-18-10-13(6-9-17(18)28)20-19(21(29)26(3)4)12(2)27(22(31)25-20)14-7-8-16(24)15(23)11-14/h6-11,20,28H,5H2,1-4H3,(H,25,31)