(5E)-1-(4-bromanyl-2-methyl-phenyl)-6-oxidanylidene-2-sulfanylidene-5-[(1,2,5-trimethylpyrrol-3-yl)methylidene]pyrimidin-4-olate

Systemtic Name: (5E)-1-(4-bromanyl-2-methyl-phenyl)-6-oxidanylidene-2-sulfanylidene-5-[(1,2,5-trimethylpyrrol-3-yl)methylidene]pyrimidin-4-olate Openeye Name: (5E)-1-(4-bromo-2-methyl-phenyl)-6-oxo-2-thioxo-5-[(1,2,5-trimethylpyrrol-3-yl)methylene]pyrimidin-4-olate CAS Name: (5E)-1-(4-bromo-2-methylphenyl)-6-oxo-2-sulfanylidene-5-[(1,2,5-trimethyl-3-pyrrolyl)methylidene]-4-pyrimidinolate IUPAC Name: (5E)-1-(4-bromo-2-methylphenyl)-6-oxo-2-sulfanylidene-5-[(1,2,5-trimethylpyrrol-3-yl)methylidene]pyrimidin-4-olate Traditional Name: (5E)-1-(4-bromo-2-methyl-phenyl)-6-keto-2-thioxo-5-[(1,2,5-trimethylpyrrol-3-yl)methylene]pyrimidin-4-olate Formula: C19H17BrN3O2S- MolecularWeight: 431.32618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C=C2C(=NC(=S)N(C2=O)C3=C(C=C(C=C3)Br)C)[O-]

Isomeric SMILES

CC1=CC(=C(N1C)C)/C=C/2\C(=NC(=S)N(C2=O)C3=C(C=C(C=C3)Br)C)[O-]

InChI

InChI=1S/C19H18BrN3O2S/c1-10-7-14(20)5-6-16(10)23-18(25)15(17(24)21-19(23)26)9-13-8-11(2)22(4)12(13)3/h5-9H,1-4H3,(H,21,24,26)/p-1/b15-9+