2-[5-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]-5-bromanyl-benzoate

Systemtic Name: 2-[5-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]-5-bromanyl-benzoate Openeye Name: 5-bromo-2-[5-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-furyl]benzoate CAS Name: 5-bromo-2-[5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-furanyl]benzoate IUPAC Name: 5-bromo-2-[5-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoate Traditional Name: 5-bromo-2-[5-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-furyl]benzoate Formula: C16H8BrN2O5S- MolecularWeight: 420.21412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(=O)[O-])C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

C1=CC(=C(C=C1Br)C(=O)[O-])C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C16H9BrN2O5S/c17-7-1-3-9(10(5-7)15(22)23)12-4-2-8(24-12)6-11-13(20)18-16(25)19-14(11)21/h1-6H,(H,22,23)(H2,18,19,20,21,25)/p-1