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

Systemtic Name: (4-azanyl-2-ethylsulfanyl-pyrimidin-5-yl)-[2-(trifluoromethyl)phenyl]methanone Openeye Name: (4-amino-2-ethylsulfanyl-pyrimidin-5-yl)-[2-(trifluoromethyl)phenyl]methanone CAS Name: [4-amino-2-(ethylthio)-5-pyrimidinyl]-[2-(trifluoromethyl)phenyl]methanone IUPAC Name: (4-amino-2-ethylsulfanylpyrimidin-5-yl)-[2-(trifluoromethyl)phenyl]methanone Traditional Name: [4-amino-2-(ethylthio)pyrimidin-5-yl]-[2-(trifluoromethyl)phenyl]methanone Formula: C14H12F3N3OS MolecularWeight: 327.32479

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=C(C(=N1)N)C(=O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CCSC1=NC=C(C(=N1)N)C(=O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C14H12F3N3OS/c1-2-22-13-19-7-9(12(18)20-13)11(21)8-5-3-4-6-10(8)14(15,16)17/h3-7H,2H2,1H3,(H2,18,19,20)