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

Systemtic Name: 5-[(5-fluoranyl-2-methyl-4-pyrrolidin-1-yl-phenyl)methylidene]-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(5-fluoro-2-methyl-4-pyrrolidin-1-yl-phenyl)methylene]-1-(m-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[5-fluoro-2-methyl-4-(1-pyrrolidinyl)phenyl]methylidene]-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-1-(3-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(5-fluoro-2-methyl-4-pyrrolidino-benzylidene)-1-(m-tolyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C23H22FN3O2S MolecularWeight: 423.503083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC(=C(C=C3C)N4CCCC4)F)C(=O)NC2=S

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC(=C(C=C3C)N4CCCC4)F)C(=O)NC2=S

InChI

InChI=1S/C23H22FN3O2S/c1-14-6-5-7-17(10-14)27-22(29)18(21(28)25-23(27)30)12-16-13-19(24)20(11-15(16)2)26-8-3-4-9-26/h5-7,10-13H,3-4,8-9H2,1-2H3,(H,25,28,30)