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

Systemtic Name: [2-bromanyl-4-[(E)-(carbamothioylhydrazinylidene)methyl]-6-ethoxy-phenyl] 4-methylbenzenesulfonate Openeye Name: [2-bromo-4-[(E)-(carbamothioylhydrazono)methyl]-6-ethoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-bromo-4-[(E)-(carbamothioylhydrazinylidene)methyl]-6-ethoxyphenyl] ester IUPAC Name: [2-bromo-4-[(E)-(carbamothioylhydrazinylidene)methyl]-6-ethoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-bromo-6-ethoxy-4-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C17H18BrN3O4S2 MolecularWeight: 472.37652

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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=C(C=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrN3O4S2/c1-3-24-15-9-12(10-20-21-17(19)26)8-14(18)16(15)25-27(22,23)13-6-4-11(2)5-7-13/h4-10H,3H2,1-2H3,(H3,19,21,26)/b20-10+