5-[(2,5-dimethyl-1-pyridin-3-yl-pyrrol-3-yl)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(2,5-dimethyl-1-pyridin-3-yl-pyrrol-3-yl)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[2,5-dimethyl-1-(3-pyridyl)pyrrol-3-yl]methylene]-1-(4-fluorophenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[2,5-dimethyl-1-(3-pyridinyl)-3-pyrrolyl]methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1-(4-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[2,5-dimethyl-1-(3-pyridyl)pyrrol-3-yl]methylene]-1-(4-fluorophenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H17FN4O2S MolecularWeight: 420.459383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CN=CC=C2)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=C(N1C2=CN=CC=C2)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H17FN4O2S/c1-13-10-15(14(2)26(13)18-4-3-9-24-12-18)11-19-20(28)25-22(30)27(21(19)29)17-7-5-16(23)6-8-17/h3-12H,1-2H3,(H,25,28,30)