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

Systemtic Name: (5E)-1-(3-bromophenyl)-5-[(5-methylfuran-2-yl)methylidene]-6-oxidanylidene-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-1-(3-bromophenyl)-5-[(5-methyl-2-furyl)methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-1-(3-bromophenyl)-5-[(5-methyl-2-furanyl)methylidene]-6-oxo-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-1-(3-bromophenyl)-5-[(5-methylfuran-2-yl)methylidene]-6-oxo-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-1-(3-bromophenyl)-6-keto-5-[(5-methyl-2-furyl)methylene]-2-thioxo-pyrimidin-4-olate Formula: C16H10BrN2O3S- MolecularWeight: 390.2312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=C2C(=NC(=S)N(C2=O)C3=CC(=CC=C3)Br)[O-]

Isomeric SMILES

CC1=CC=C(O1)/C=C/2\C(=NC(=S)N(C2=O)C3=CC(=CC=C3)Br)[O-]

InChI

InChI=1S/C16H11BrN2O3S/c1-9-5-6-12(22-9)8-13-14(20)18-16(23)19(15(13)21)11-4-2-3-10(17)7-11/h2-8H,1H3,(H,18,20,23)/p-1/b13-8+