3-[2-oxidanylidene-4-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-3-yl]benzaldehyde

Systemtic Name: 3-[2-oxidanylidene-4-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-3-yl]benzaldehyde Openeye Name: 3-[2-oxo-4-thioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]benzaldehyde CAS Name: 3-[2-oxo-4-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-3-yl]benzaldehyde IUPAC Name: 3-[2-oxo-4-sulfanylidene-6-(trifluoromethyl)-1H-pyrimidin-3-yl]benzaldehyde Traditional Name: 3-[2-keto-4-thioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]benzaldehyde Formula: C12H7F3N2O2S MolecularWeight: 300.25639

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=S)C=C(NC2=O)C(F)(F)F)C=O

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=S)C=C(NC2=O)C(F)(F)F)C=O

InChI

InChI=1S/C12H7F3N2O2S/c13-12(14,15)9-5-10(20)17(11(19)16-9)8-3-1-2-7(4-8)6-18/h1-6H,(H,16,19)