1-(3-bromophenyl)-5-[(1-tert-butylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(3-bromophenyl)-5-[(1-tert-butylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(3-bromophenyl)-5-[(1-tert-butylpyrrol-2-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(3-bromophenyl)-5-[(1-tert-butyl-2-pyrrolyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(3-bromophenyl)-5-[(1-tert-butylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(3-bromophenyl)-5-[(1-tert-butylpyrrol-2-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H18BrN3O2S MolecularWeight: 432.33412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=CC=C1C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC(C)(C)N1C=CC=C1C=C2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C19H18BrN3O2S/c1-19(2,3)22-9-5-8-13(22)11-15-16(24)21-18(26)23(17(15)25)14-7-4-6-12(20)10-14/h4-11H,1-3H3,(H,21,24,26)