[2-methoxy-4-[(E)-(methylcarbamothioylhydrazinylidene)methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: [2-methoxy-4-[(E)-(methylcarbamothioylhydrazinylidene)methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [2-methoxy-4-[(E)-(methylcarbamothioylhydrazono)methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [2-methoxy-4-[(E)-[[methylamino(sulfanylidene)methyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(methylcarbamothioylhydrazinylidene)methyl]phenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [2-methoxy-4-[(E)-(methylthiocarbamoylhydrazono)methyl]phenyl] ester Formula: C17H18N4O6S2 MolecularWeight: 438.47802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=NNC(=S)NC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=N/NC(=S)NC)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O6S2/c1-11-4-6-13(9-14(11)21(22)23)29(24,25)27-15-7-5-12(8-16(15)26-3)10-19-20-17(28)18-2/h4-10H,1-3H3,(H2,18,20,28)/b19-10+