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

Systemtic Name: [4-[(2-azanyl-4-oxidanylidene-1,3-thiazol-5-ylidene)methyl]-2-bromanyl-phenyl] 4-nitrobenzenesulfonate Openeye Name: [4-[(2-amino-4-oxo-thiazol-5-ylidene)methyl]-2-bromo-phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [4-[(2-amino-4-oxo-5-thiazolylidene)methyl]-2-bromophenyl] ester IUPAC Name: [4-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2-bromophenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [4-[(2-amino-4-keto-2-thiazolin-5-ylidene)methyl]-2-bromo-phenyl] ester Formula: C16H10BrN3O6S2 MolecularWeight: 484.3011

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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)C=C3C(=O)N=C(S3)N)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H10BrN3O6S2/c17-12-7-9(8-14-15(21)19-16(18)27-14)1-6-13(12)26-28(24,25)11-4-2-10(3-5-11)20(22)23/h1-8H,(H2,18,19,21)