5-phenethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one

Systemtic Name: 5-phenethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one Openeye Name: 5-phenethyl-2-thioxo-6-(trifluoromethyl)-1H-pyrimidin-4-one CAS Name: 5-phenethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one IUPAC Name: 5-phenethyl-2-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-4-one Traditional Name: 5-phenethyl-2-thioxo-6-(trifluoromethyl)-1H-pyrimidin-4-one Formula: C13H11F3N2OS MolecularWeight: 300.29945

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(NC(=S)NC2=O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(NC(=S)NC2=O)C(F)(F)F

InChI

InChI=1S/C13H11F3N2OS/c14-13(15,16)10-9(11(19)18-12(20)17-10)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,17,18,19,20)