5-[[1-(4-bromanyl-2-fluoranyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[1-(4-bromanyl-2-fluoranyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[1-(4-bromo-2-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[1-(4-bromo-2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[1-(4-bromo-2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[1-(4-bromo-2-fluoro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H13BrFN3O2S MolecularWeight: 422.271423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=C(C=C2)Br)F)C)C=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=C(C=C2)Br)F)C)C=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C17H13BrFN3O2S/c1-8-5-10(6-12-15(23)20-17(25)21-16(12)24)9(2)22(8)14-4-3-11(18)7-13(14)19/h3-7H,1-2H3,(H2,20,21,23,24,25)