2-[4-oxidanylidene-6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-2-yl]ethanethial

Systemtic Name: 2-[4-oxidanylidene-6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-2-yl]ethanethial Openeye Name: 2-[4-oxo-6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-2-yl]ethanethial CAS Name: 2-[4-oxo-6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-2-yl]ethanethial IUPAC Name: 2-[4-oxo-6-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-2-yl]ethanethial Traditional Name: 2-[4-keto-6-[3-(trifluoromethyl)benzyl]-1H-pyrimidin-2-yl]thioacetaldehyde Formula: C14H11F3N2OS MolecularWeight: 312.31015

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CC2=CC(=O)N=C(N2)CC=S

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CC2=CC(=O)N=C(N2)CC=S

InChI

InChI=1S/C14H11F3N2OS/c15-14(16,17)10-3-1-2-9(6-10)7-11-8-13(20)19-12(18-11)4-5-21/h1-3,5-6,8H,4,7H2,(H,18,19,20)