(5Z)-1-(4-bromophenyl)-5-[(1-tert-butylpyrrol-2-yl)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5Z)-1-(4-bromophenyl)-5-[(1-tert-butylpyrrol-2-yl)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-1-(4-bromophenyl)-5-[(1-tert-butylpyrrol-2-yl)methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-1-(4-bromophenyl)-5-[(1-tert-butyl-2-pyrrolyl)methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-1-(4-bromophenyl)-5-[(1-tert-butylpyrrol-2-yl)methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-1-(4-bromophenyl)-5-[(1-tert-butylpyrrol-2-yl)methylene]-6-keto-2-thioxo-pyrimidin-4-olate Formula: C19H17BrN3O2S- MolecularWeight: 431.32618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)N1C=CC=C1/C=C\2/C(=NC(=S)N(C2=O)C3=CC=C(C=C3)Br)[O-]

InChI

InChI=1S/C19H18BrN3O2S/c1-19(2,3)22-10-4-5-14(22)11-15-16(24)21-18(26)23(17(15)25)13-8-6-12(20)7-9-13/h4-11H,1-3H3,(H,21,24,26)/p-1/b15-11-