1-(4-bromophenyl)-2-sulfanylidene-5-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]-1,3-diazinane-4,6-dione

Systemtic Name: 1-(4-bromophenyl)-2-sulfanylidene-5-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]-1,3-diazinane-4,6-dione Openeye Name: 1-(4-bromophenyl)-2-thioxo-5-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylene]hexahydropyrimidine-4,6-dione CAS Name: 1-(4-bromophenyl)-2-sulfanylidene-5-[[1-[3-(trifluoromethyl)phenyl]-2-pyrrolyl]methylidene]-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-bromophenyl)-2-sulfanylidene-5-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylidene]-1,3-diazinane-4,6-dione Traditional Name: 1-(4-bromophenyl)-2-thioxo-5-[[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylene]hexahydropyrimidine-4,6-quinone Formula: C22H13BrF3N3O2S MolecularWeight: 520.32173

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=CC=C2C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Br)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C=CC=C2C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Br)C(F)(F)F

InChI

InChI=1S/C22H13BrF3N3O2S/c23-14-6-8-15(9-7-14)29-20(31)18(19(30)27-21(29)32)12-17-5-2-10-28(17)16-4-1-3-13(11-16)22(24,25)26/h1-12H,(H,27,30,32)