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

Systemtic Name: [2-bromanyl-4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-acetamidobenzenesulfonate Openeye Name: [2-bromo-4-[(E)-(carbamothioylhydrazono)methyl]phenyl] 4-acetamidobenzenesulfonate CAS Name: 4-acetamidobenzenesulfonic acid [2-bromo-4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] ester IUPAC Name: [2-bromo-4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-acetamidobenzenesulfonate Traditional Name: 4-acetamidobenzenesulfonic acid [2-bromo-4-[(E)-(thiocarbamoylhydrazono)methyl]phenyl] ester Formula: C16H15BrN4O4S2 MolecularWeight: 471.3487

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=NNC(=S)N)Br

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=N/NC(=S)N)Br

InChI

InChI=1S/C16H15BrN4O4S2/c1-10(22)20-12-3-5-13(6-4-12)27(23,24)25-15-7-2-11(8-14(15)17)9-19-21-16(18)26/h2-9H,1H3,(H,20,22)(H3,18,21,26)/b19-9+