[2-[(E)-(methylcarbamothioylhydrazinylidene)methyl]phenyl] 2-nitrobenzenesulfonate

Systemtic Name: [2-[(E)-(methylcarbamothioylhydrazinylidene)methyl]phenyl] 2-nitrobenzenesulfonate Openeye Name: [2-[(E)-(methylcarbamothioylhydrazono)methyl]phenyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [2-[(E)-[[methylamino(sulfanylidene)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-[(E)-(methylcarbamothioylhydrazinylidene)methyl]phenyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [2-[(E)-(methylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C15H14N4O5S2 MolecularWeight: 394.42546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NN=CC1=CC=CC=C1OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CNC(=S)N/N=C/C1=CC=CC=C1OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C15H14N4O5S2/c1-16-15(25)18-17-10-11-6-2-4-8-13(11)24-26(22,23)14-9-5-3-7-12(14)19(20)21/h2-10H,1H3,(H2,16,18,25)/b17-10+