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

Systemtic Name: 4-[2-[4,6-bis(oxidanylidene)-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene]hydrazinyl]benzenesulfonic acid Openeye Name: 4-[2-(4,6-dioxo-1-phenyl-2-thioxo-hexahydropyrimidin-5-ylidene)hydrazino]benzenesulfonic acid CAS Name: 4-[2-(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzenesulfonic acid IUPAC Name: 4-[2-(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazinyl]benzenesulfonic acid Traditional Name: 4-[N'-(4,6-diketo-1-phenyl-2-thioxo-hexahydropyrimidin-5-ylidene)hydrazino]besylic acid Formula: C16H12N4O5S2 MolecularWeight: 404.42028

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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(=NNC3=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)