[4-bromanyl-2-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-nitrobenzenesulfonate

Systemtic Name: [4-bromanyl-2-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-nitrobenzenesulfonate Openeye Name: [4-bromo-2-[(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [4-bromo-2-[(4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [4-bromo-2-[(4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] ester Formula: C16H9BrN2O6S3 MolecularWeight: 501.35146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)OC2=C(C=C(C=C2)Br)C=C3C(=O)NC(=S)S3

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)OC2=C(C=C(C=C2)Br)C=C3C(=O)NC(=S)S3

InChI

InChI=1S/C16H9BrN2O6S3/c17-10-1-6-13(9(7-10)8-14-15(20)18-16(26)27-14)25-28(23,24)12-4-2-11(3-5-12)19(21)22/h1-8H,(H,18,20,26)