(5Z)-5-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methylidene]-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: (5Z)-5-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methylidene]-6-oxidanylidene-1-prop-2-enyl-2-sulfanylidene-pyrimidin-4-olate Openeye Name: (5Z)-1-allyl-5-[(3-bromo-4-ethoxy-5-methoxy-phenyl)methylene]-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: (5Z)-5-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-6-oxo-1-prop-2-enyl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: (5Z)-5-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-6-oxo-1-prop-2-enyl-2-sulfanylidenepyrimidin-4-olate Traditional Name: (5Z)-1-allyl-5-(3-bromo-4-ethoxy-5-methoxy-benzylidene)-6-keto-2-thioxo-pyrimidin-4-olate Formula: C17H16BrN2O4S- MolecularWeight: 424.28894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C=C2C(=NC(=S)N(C2=O)CC=C)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)/C=C\2/C(=NC(=S)N(C2=O)CC=C)[O-])OC

InChI

InChI=1S/C17H17BrN2O4S/c1-4-6-20-16(22)11(15(21)19-17(20)25)7-10-8-12(18)14(24-5-2)13(9-10)23-3/h4,7-9H,1,5-6H2,2-3H3,(H,19,21,25)/p-1/b11-7-