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

Systemtic Name: 1-(3-bromophenyl)-5-[(1-phenylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(3-bromophenyl)-5-[(1-phenylpyrrol-2-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(3-bromophenyl)-5-[(1-phenyl-2-pyrrolyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(3-bromophenyl)-5-[(1-phenylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(3-bromophenyl)-5-[(1-phenylpyrrol-2-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H14BrN3O2S MolecularWeight: 452.32376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14BrN3O2S/c22-14-6-4-9-17(12-14)25-20(27)18(19(26)23-21(25)28)13-16-10-5-11-24(16)15-7-2-1-3-8-15/h1-13H,(H,23,26,28)