(5E)-1-(4-bromanyl-2-methyl-phenyl)-5-[(1-tert-butylpyrrol-2-yl)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-1-(4-bromanyl-2-methyl-phenyl)-5-[(1-tert-butylpyrrol-2-yl)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-1-(4-bromo-2-methyl-phenyl)-5-[(1-tert-butylpyrrol-2-yl)methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-1-(4-bromo-2-methylphenyl)-5-[(1-tert-butyl-2-pyrrolyl)methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-1-(4-bromo-2-methylphenyl)-5-[(1-tert-butylpyrrol-2-yl)methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-1-(4-bromo-2-methyl-phenyl)-5-[(1-tert-butylpyrrol-2-yl)methylene]-6-keto-2-thioxo-pyrimidin-4-olate Formula: C20H19BrN3O2S- MolecularWeight: 445.35276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2C(=O)C(=CC3=CC=CN3C(C)(C)C)C(=NC2=S)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2C(=O)/C(=C/C3=CC=CN3C(C)(C)C)/C(=NC2=S)[O-]

InChI

InChI=1S/C20H20BrN3O2S/c1-12-10-13(21)7-8-16(12)24-18(26)15(17(25)22-19(24)27)11-14-6-5-9-23(14)20(2,3)4/h5-11H,1-4H3,(H,22,25,27)/p-1/b15-11+