5-[(1-phenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(1-phenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-4,6-dione Openeye Name: 5-[(1-phenylpyrazol-4-yl)methylene]-2-thioxo-1-[3-(trifluoromethyl)phenyl]hexahydropyrimidine-4,6-dione CAS Name: 5-[(1-phenyl-4-pyrazolyl)methylidene]-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-4,6-dione IUPAC Name: 5-[(1-phenylpyrazol-4-yl)methylidene]-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-4,6-dione Traditional Name: 5-[(1-phenylpyrazol-4-yl)methylene]-2-thioxo-1-[3-(trifluoromethyl)phenyl]hexahydropyrimidine-4,6-quinone Formula: C21H13F3N4O2S MolecularWeight: 442.41373

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)C=C3C(=O)NC(=S)N(C3=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H13F3N4O2S/c22-21(23,24)14-5-4-8-16(10-14)28-19(30)17(18(29)26-20(28)31)9-13-11-25-27(12-13)15-6-2-1-3-7-15/h1-12H,(H,26,29,31)