(5E)-5-[[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-5-[[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-5-[[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-5-[[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-5-[[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-5-[[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-6-keto-2-thioxo-pyrimidin-4-olate Formula: C17H13BrN3O2S- MolecularWeight: 403.27302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C=C3C(=O)NC(=S)N=C3[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)/C=C\3/C(=O)NC(=S)N=C3[O-]

InChI

InChI=1S/C17H14BrN3O2S/c1-9-7-11(8-14-15(22)19-17(24)20-16(14)23)10(2)21(9)13-5-3-12(18)4-6-13/h3-8H,1-2H3,(H2,19,20,22,23,24)/p-1