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

Systemtic Name: 4-[(E)-[4,6-bis(oxidanylidene)-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-2-bromanyl-6-ethoxy-phenolate Openeye Name: 2-bromo-4-[(E)-(4,6-dioxo-1-phenyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-6-ethoxy-phenolate CAS Name: 2-bromo-4-[(E)-(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-ethoxyphenolate IUPAC Name: 2-bromo-4-[(E)-(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-6-ethoxyphenolate Traditional Name: 2-bromo-4-[(E)-(4,6-diketo-1-phenyl-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-6-ethoxy-phenolate Formula: C19H14BrN2O4S- MolecularWeight: 446.29446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3)Br)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=CC=C3)Br)[O-]

InChI

InChI=1S/C19H15BrN2O4S/c1-2-26-15-10-11(9-14(20)16(15)23)8-13-17(24)21-19(27)22(18(13)25)12-6-4-3-5-7-12/h3-10,23H,2H2,1H3,(H,21,24,27)/p-1/b13-8+