2-[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[2-(trifluoromethyl)anilino]ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C16H15F3N3O2S- MolecularWeight: 370.36941

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC=C2C(F)(F)F)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=CC=C2C(F)(F)F)[O-]

InChI

InChI=1S/C16H16F3N3O2S/c1-2-5-10-8-13(23)22-15(20-10)25-9-14(24)21-12-7-4-3-6-11(12)16(17,18)19/h3-4,6-8H,2,5,9H2,1H3,(H,21,24)(H,20,22,23)/p-1