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

Systemtic Name: [2-bromanyl-6-ethoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[(E)-(allylcarbamothioylhydrazono)methyl]-2-bromo-6-ethoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-bromo-6-ethoxy-4-[(E)-[[(prop-2-enylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenyl] ester IUPAC Name: [2-bromo-6-ethoxy-4-[(E)-(prop-2-enylcarbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[(E)-(allylthiocarbamoylhydrazono)methyl]-2-bromo-6-ethoxy-phenyl] ester Formula: C20H22BrN3O4S2 MolecularWeight: 512.44038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O4S2/c1-4-10-22-20(29)24-23-13-15-11-17(21)19(18(12-15)27-5-2)28-30(25,26)16-8-6-14(3)7-9-16/h4,6-9,11-13H,1,5,10H2,2-3H3,(H2,22,24,29)/b23-13+