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

Systemtic Name: [2-methoxy-4-[(E)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenyl] 4-methyl-3-nitro-benzenesulfonate Openeye Name: [4-[(E)-(isopropylcarbamothioylhydrazono)methyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid [2-methoxy-4-[(E)-[[(propan-2-ylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-(propan-2-ylcarbamothioylhydrazinylidene)methyl]phenyl] 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid [4-[(E)-(isopropylthiocarbamoylhydrazono)methyl]-2-methoxy-phenyl] ester Formula: C19H22N4O6S2 MolecularWeight: 466.53118

Click to see the large picture

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(C)C)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(C)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O6S2/c1-12(2)21-19(30)22-20-11-14-6-8-17(18(9-14)28-4)29-31(26,27)15-7-5-13(3)16(10-15)23(24)25/h5-12H,1-4H3,(H2,21,22,30)/b20-11+