1-[4-methyl-6-prop-2-ynylsulfanyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone

Systemtic Name: 1-[4-methyl-6-prop-2-ynylsulfanyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone Openeye Name: 1-[4-methyl-6-prop-2-ynylsulfanyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone CAS Name: 1-[4-methyl-6-(prop-2-ynylthio)-2-[4-(trifluoromethyl)phenyl]-5-pyrimidinyl]ethanone IUPAC Name: 1-[4-methyl-6-prop-2-ynylsulfanyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone Traditional Name: 1-[4-methyl-6-(propargylthio)-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethanone Formula: C17H13F3N2OS MolecularWeight: 350.35813

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)C(F)(F)F)SCC#C)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=C(C=C2)C(F)(F)F)SCC#C)C(=O)C

InChI

InChI=1S/C17H13F3N2OS/c1-4-9-24-16-14(11(3)23)10(2)21-15(22-16)12-5-7-13(8-6-12)17(18,19)20/h1,5-8H,9H2,2-3H3