[2-bromanyl-4-[(E)-(carbamothioylhydrazinylidene)methyl]-6-ethoxy-phenyl] 4-nitrobenzenesulfonate

Systemtic Name: [2-bromanyl-4-[(E)-(carbamothioylhydrazinylidene)methyl]-6-ethoxy-phenyl] 4-nitrobenzenesulfonate Openeye Name: [2-bromo-4-[(E)-(carbamothioylhydrazono)methyl]-6-ethoxy-phenyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [2-bromo-4-[(E)-(carbamothioylhydrazinylidene)methyl]-6-ethoxyphenyl] ester IUPAC Name: [2-bromo-4-[(E)-(carbamothioylhydrazinylidene)methyl]-6-ethoxyphenyl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [2-bromo-6-ethoxy-4-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C16H15BrN4O6S2 MolecularWeight: 503.3475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=NNC(=S)N)Br)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=N/NC(=S)N)Br)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H15BrN4O6S2/c1-2-26-14-8-10(9-19-20-16(18)28)7-13(17)15(14)27-29(24,25)12-5-3-11(4-6-12)21(22)23/h3-9H,2H2,1H3,(H3,18,20,28)/b19-9+