1-(4-ethylphenyl)-5-[(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(4-ethylphenyl)-5-[(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-ethylphenyl)-5-[(5-fluoro-2-methyl-4-pyrrolidin-1-yl-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-ethylphenyl)-5-[[5-fluoro-2-methyl-4-(1-pyrrolidinyl)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-ethylphenyl)-5-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-ethylphenyl)-5-(5-fluoro-2-methyl-4-pyrrolidino-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C24H24FN3O2S MolecularWeight: 437.529663

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3C)N4CCCC4)F)C(=O)NC2=S

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3C)N4CCCC4)F)C(=O)NC2=S

InChI

InChI=1S/C24H24FN3O2S/c1-3-16-6-8-18(9-7-16)28-23(30)19(22(29)26-24(28)31)13-17-14-20(25)21(12-15(17)2)27-10-4-5-11-27/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,26,29,31)