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

Systemtic Name: 1-(3-bromophenyl)-5-[(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(3-bromophenyl)-5-[(5-fluoro-2-methyl-4-pyrrolidin-1-yl-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(3-bromophenyl)-5-[[5-fluoro-2-methyl-4-(1-pyrrolidinyl)phenyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(3-bromophenyl)-5-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(3-bromophenyl)-5-(5-fluoro-2-methyl-4-pyrrolidino-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H19BrFN3O2S MolecularWeight: 488.372563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Br)F)N4CCCC4

Isomeric SMILES

CC1=CC(=C(C=C1C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Br)F)N4CCCC4

InChI

InChI=1S/C22H19BrFN3O2S/c1-13-9-19(26-7-2-3-8-26)18(24)11-14(13)10-17-20(28)25-22(30)27(21(17)29)16-6-4-5-15(23)12-16/h4-6,9-12H,2-3,7-8H2,1H3,(H,25,28,30)