(4-azanyl-2-ethylsulfanyl-pyrimidin-5-yl)-[5-fluoranyl-2-(trifluoromethyl)phenyl]methanone

Systemtic Name: (4-azanyl-2-ethylsulfanyl-pyrimidin-5-yl)-[5-fluoranyl-2-(trifluoromethyl)phenyl]methanone Openeye Name: (4-amino-2-ethylsulfanyl-pyrimidin-5-yl)-[5-fluoro-2-(trifluoromethyl)phenyl]methanone CAS Name: [4-amino-2-(ethylthio)-5-pyrimidinyl]-[5-fluoro-2-(trifluoromethyl)phenyl]methanone IUPAC Name: (4-amino-2-ethylsulfanylpyrimidin-5-yl)-[5-fluoro-2-(trifluoromethyl)phenyl]methanone Traditional Name: [4-amino-2-(ethylthio)pyrimidin-5-yl]-[5-fluoro-2-(trifluoromethyl)phenyl]methanone Formula: C14H11F4N3OS MolecularWeight: 345.315253

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)N)C(=O)C2=C(C=CC(=C2)F)C(F)(F)F

Isomeric SMILES

CCSC1=NC=C(C(=N1)N)C(=O)C2=C(C=CC(=C2)F)C(F)(F)F

InChI

InChI=1S/C14H11F4N3OS/c1-2-23-13-20-6-9(12(19)21-13)11(22)8-5-7(15)3-4-10(8)14(16,17)18/h3-6H,2H2,1H3,(H2,19,20,21)