2-prop-2-ynylsulfanyl-6-(trifluoromethyl)-1H-pyrimidin-4-one

Systemtic Name: 2-prop-2-ynylsulfanyl-6-(trifluoromethyl)-1H-pyrimidin-4-one Openeye Name: 2-prop-2-ynylsulfanyl-6-(trifluoromethyl)-1H-pyrimidin-4-one CAS Name: 2-(prop-2-ynylthio)-6-(trifluoromethyl)-1H-pyrimidin-4-one IUPAC Name: 2-prop-2-ynylsulfanyl-6-(trifluoromethyl)-1H-pyrimidin-4-one Traditional Name: 2-(propargylthio)-6-(trifluoromethyl)-1H-pyrimidin-4-one Formula: C8H5F3N2OS MolecularWeight: 234.19831

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC(=O)C=C(N1)C(F)(F)F

Isomeric SMILES

C#CCSC1=NC(=O)C=C(N1)C(F)(F)F

InChI

InChI=1S/C8H5F3N2OS/c1-2-3-15-7-12-5(8(9,10)11)4-6(14)13-7/h1,4H,3H2,(H,12,13,14)