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

Systemtic Name: [4-[(ethylcarbamothioylhydrazinylidene)methyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [4-[(ethylcarbamothioylhydrazono)methyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [4-[[[ethylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(ethylcarbamothioylhydrazinylidene)methyl]-2-methoxyphenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [4-[(ethylthiocarbamoylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C18H20N4O6S2 MolecularWeight: 452.5046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O6S2/c1-4-19-18(29)21-20-11-13-6-8-16(17(9-13)27-3)28-30(25,26)14-7-5-12(2)15(10-14)22(23)24/h5-11H,4H2,1-3H3,(H2,19,21,29)