[2-bromanyl-4-[(E)-(carbamothioylhydrazinylidene)methyl]-6-ethoxy-phenyl] benzenesulfonate

Systemtic Name: [2-bromanyl-4-[(E)-(carbamothioylhydrazinylidene)methyl]-6-ethoxy-phenyl] benzenesulfonate Openeye Name: [2-bromo-4-[(E)-(carbamothioylhydrazono)methyl]-6-ethoxy-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-bromo-4-[(E)-(carbamothioylhydrazinylidene)methyl]-6-ethoxyphenyl] ester IUPAC Name: [2-bromo-4-[(E)-(carbamothioylhydrazinylidene)methyl]-6-ethoxyphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-bromo-6-ethoxy-4-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C16H16BrN3O4S2 MolecularWeight: 458.34994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrN3O4S2/c1-2-23-14-9-11(10-19-20-16(18)25)8-13(17)15(14)24-26(21,22)12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H3,18,20,25)/b19-10+