(Z)-3-ethoxy-2-(2-methylsulfanylpyrimidin-4-yl)-1-[3-(trifluoromethyl)phenyl]but-2-en-1-one

Systemtic Name: (Z)-3-ethoxy-2-(2-methylsulfanylpyrimidin-4-yl)-1-[3-(trifluoromethyl)phenyl]but-2-en-1-one Openeye Name: (Z)-3-ethoxy-2-(2-methylsulfanylpyrimidin-4-yl)-1-[3-(trifluoromethyl)phenyl]but-2-en-1-one CAS Name: (Z)-3-ethoxy-2-[2-(methylthio)-4-pyrimidinyl]-1-[3-(trifluoromethyl)phenyl]-2-buten-1-one IUPAC Name: (Z)-3-ethoxy-2-(2-methylsulfanylpyrimidin-4-yl)-1-[3-(trifluoromethyl)phenyl]but-2-en-1-one Traditional Name: (Z)-3-ethoxy-2-[2-(methylthio)pyrimidin-4-yl]-1-[3-(trifluoromethyl)phenyl]but-2-en-1-one Formula: C18H17F3N2O2S MolecularWeight: 382.39999

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C1=NC(=NC=C1)SC)C(=O)C2=CC(=CC=C2)C(F)(F)F)C

Isomeric SMILES

CCO/C(=C(/C1=NC(=NC=C1)SC)\C(=O)C2=CC(=CC=C2)C(F)(F)F)/C

InChI

InChI=1S/C18H17F3N2O2S/c1-4-25-11(2)15(14-8-9-22-17(23-14)26-3)16(24)12-6-5-7-13(10-12)18(19,20)21/h5-10H,4H2,1-3H3/b15-11-