(5E)-5-[(4-bromophenyl)methylidene]-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5E)-5-[(4-bromophenyl)methylidene]-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5E)-1-allyl-5-[(4-bromophenyl)methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5E)-5-[(4-bromophenyl)methylidene]-6-oxo-1-prop-2-enyl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5E)-5-[(4-bromophenyl)methylidene]-6-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5E)-1-allyl-5-(4-bromobenzylidene)-6-keto-2-thioxo-pyrimidin-4-olate Formula: C14H10BrN2O2S- MolecularWeight: 350.2104

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CC=C(C=C2)Br)C(=NC1=S)[O-]

Isomeric SMILES

C=CCN1C(=O)/C(=C/C2=CC=C(C=C2)Br)/C(=NC1=S)[O-]

InChI

InChI=1S/C14H11BrN2O2S/c1-2-7-17-13(19)11(12(18)16-14(17)20)8-9-3-5-10(15)6-4-9/h2-6,8H,1,7H2,(H,16,18,20)/p-1/b11-8+