5-[(2,4-diethoxyphenyl)methylidene]-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(2,4-diethoxyphenyl)methylidene]-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(2,4-diethoxyphenyl)methylene]-1-(2-fluorophenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(2,4-diethoxyphenyl)methylidene]-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2,4-diethoxyphenyl)methylidene]-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(2,4-diethoxybenzylidene)-1-(2-fluorophenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H19FN2O4S MolecularWeight: 414.449963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3F)OCC

Isomeric SMILES

CCOC1=CC(=C(C=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3F)OCC

InChI

InChI=1S/C21H19FN2O4S/c1-3-27-14-10-9-13(18(12-14)28-4-2)11-15-19(25)23-21(29)24(20(15)26)17-8-6-5-7-16(17)22/h5-12H,3-4H2,1-2H3,(H,23,25,29)