[2-bromanyl-4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methoxybenzenesulfonate

Systemtic Name: [2-bromanyl-4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methoxybenzenesulfonate Openeye Name: [2-bromo-4-[(E)-(carbamothioylhydrazono)methyl]phenyl] 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid [2-bromo-4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [2-bromo-4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid [2-bromo-4-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C15H14BrN3O4S2 MolecularWeight: 444.32336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=NNC(=S)N)Br

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=N/NC(=S)N)Br

InChI

InChI=1S/C15H14BrN3O4S2/c1-22-11-3-5-12(6-4-11)25(20,21)23-14-7-2-10(8-13(14)16)9-18-19-15(17)24/h2-9H,1H3,(H3,17,19,24)/b18-9+