sodium 8-bromanyl-5-methoxy-2-methyl-6-[(E)-(3-methyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl)iminomethyl]-4-oxidanylidene-chromen-7-olate

Systemtic Name: sodium 8-bromanyl-5-methoxy-2-methyl-6-[(E)-(3-methyl-5-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl)iminomethyl]-4-oxidanylidene-chromen-7-olate Openeye Name: sodium 8-bromo-5-methoxy-2-methyl-6-[(E)-(3-methyl-5-oxo-2-thioxo-imidazolidin-1-yl)iminomethyl]-4-oxo-chromen-7-olate CAS Name: sodium 8-bromo-5-methoxy-2-methyl-6-[(E)-(3-methyl-5-oxo-2-sulfanylidene-1-imidazolidinyl)iminomethyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: sodium 8-bromo-5-methoxy-2-methyl-6-[(E)-(3-methyl-5-oxo-2-sulfanylideneimidazolidin-1-yl)iminomethyl]-4-oxochromen-7-olate Traditional Name: sodium 8-bromo-4-keto-6-[(E)-(5-keto-3-methyl-2-thioxo-imidazolidin-1-yl)iminomethyl]-5-methoxy-2-methyl-chromen-7-olate Formula: C16H13BrN3NaO5S MolecularWeight: 462.25029

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C2=C(O1)C(=C(C(=C2OC)C=NN3C(=O)CN(C3=S)C)[O-])Br.[Na+]

Isomeric SMILES

CC1=CC(=O)C2=C(O1)C(=C(C(=C2OC)/C=N/N3C(=O)CN(C3=S)C)[O-])Br.[Na+]

InChI

InChI=1S/C16H14BrN3O5S.Na/c1-7-4-9(21)11-14(24-3)8(13(23)12(17)15(11)25-7)5-18-20-10(22)6-19(2)16(20)26;/h4-5,23H,6H2,1-3H3;/q;+1/p-1/b18-5+;