4-[(2E)-2-[4,6-bis(oxidanylidene)-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]hydrazinyl]benzenesulfonate

Systemtic Name: 4-[(2E)-2-[4,6-bis(oxidanylidene)-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]hydrazinyl]benzenesulfonate Openeye Name: 4-[(2E)-2-(4,6-dioxo-1-phenyl-2-thioxo-hexahydropyrimidin-5-ylidene)hydrazino]benzenesulfonate CAS Name: 4-[(2E)-2-(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzenesulfonate IUPAC Name: 4-[(2E)-2-(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzenesulfonate Traditional Name: 4-[(N'E)-N'-(4,6-diketo-1-phenyl-2-thioxo-hexahydropyrimidin-5-ylidene)hydrazino]besylate Formula: C16H11N4O5S2- MolecularWeight: 403.41234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C(=NNC3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)NC2=S

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)/C(=N/NC3=CC=C(C=C3)S(=O)(=O)[O-])/C(=O)NC2=S

InChI

InChI=1S/C16H12N4O5S2/c21-14-13(19-18-10-6-8-12(9-7-10)27(23,24)25)15(22)20(16(26)17-14)11-4-2-1-3-5-11/h1-9,18H,(H,17,21,26)(H,23,24,25)/p-1/b19-13+