2-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-4-bromanyl-6-methoxy-phenolate

Systemtic Name: 2-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-4-bromanyl-6-methoxy-phenolate Openeye Name: 4-bromo-2-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-6-methoxy-phenolate CAS Name: 4-bromo-2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenolate IUPAC Name: 4-bromo-2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenolate Traditional Name: 4-bromo-2-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-6-methoxy-phenolate Formula: C12H8BrN2O4S- MolecularWeight: 356.17192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C=C2C(=O)NC(=S)NC2=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)C=C2C(=O)NC(=S)NC2=O)[O-]

InChI

InChI=1S/C12H9BrN2O4S/c1-19-8-4-6(13)2-5(9(8)16)3-7-10(17)14-12(20)15-11(7)18/h2-4,16H,1H3,(H2,14,15,17,18,20)/p-1