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

Systemtic Name: [4-[(E)-(butylcarbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [4-[(E)-(butylcarbamothioylhydrazono)methyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [4-[(E)-[[butylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-(butylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [4-[(E)-(butylthiocarbamoylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C20H24N4O6S2 MolecularWeight: 480.55776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])OC

Isomeric SMILES

CCCCNC(=S)N/N=C/C1=CC(=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])OC

InChI

InChI=1S/C20H24N4O6S2/c1-4-5-10-21-20(31)23-22-13-15-7-9-18(19(11-15)29-3)30-32(27,28)16-8-6-14(2)17(12-16)24(25)26/h6-9,11-13H,4-5,10H2,1-3H3,(H2,21,23,31)/b22-13+