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

Systemtic Name: [2-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]-4-bromanyl-phenyl] benzenesulfonate Openeye Name: [4-bromo-2-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-bromo-2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-bromo-2-[(4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]phenyl] ester Formula: C17H11BrN2O5S2 MolecularWeight: 467.31364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Br)C=C3C(=O)NC(=S)NC3=O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Br)C=C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C17H11BrN2O5S2/c18-11-6-7-14(25-27(23,24)12-4-2-1-3-5-12)10(8-11)9-13-15(21)19-17(26)20-16(13)22/h1-9H,(H2,19,20,21,22,26)