[4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-ethoxy-phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-ethoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-(carbamothioylhydrazono)methyl]-2-ethoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-(carbamothioylhydrazinylidene)methyl]-2-ethoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-ethoxy-4-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=S)N)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N/NC(=S)N)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H19N3O4S2/c1-3-23-16-10-13(11-19-20-17(18)25)6-9-15(16)24-26(21,22)14-7-4-12(2)5-8-14/h4-11H,3H2,1-2H3,(H3,18,20,25)/b19-11+