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

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

Click to see the large picture

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)N=C(S3)N

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)OC2=C(C=C(C=C2)Br)/C=C\3/C(=O)N=C(S3)N

InChI

InChI=1S/C16H10BrN3O6S2/c17-10-1-6-13(9(7-10)8-14-15(21)19-16(18)27-14)26-28(24,25)12-4-2-11(3-5-12)20(22)23/h1-8H,(H2,18,19,21)/b14-8-