5-chloranyl-N-[[4-(4-fluoranylphenoxy)phenyl]methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[[4-(4-fluoranylphenoxy)phenyl]methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[4-(4-fluorophenoxy)benzyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C19H15ClFN3O2S MolecularWeight: 403.857703

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NCC2=CC=C(C=C2)OC3=CC=C(C=C3)F)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NCC2=CC=C(C=C2)OC3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C19H15ClFN3O2S/c1-27-19-23-11-16(20)17(24-19)18(25)22-10-12-2-6-14(7-3-12)26-15-8-4-13(21)5-9-15/h2-9,11H,10H2,1H3,(H,22,25)