4-[(E)-(carbamothioylhydrazinylidene)methyl]benzenesulfonic acid

Systemtic Name: 4-[(E)-(carbamothioylhydrazinylidene)methyl]benzenesulfonic acid Openeye Name: 4-[(E)-(carbamothioylhydrazono)methyl]benzenesulfonic acid CAS Name: 4-[(E)-(carbamothioylhydrazinylidene)methyl]benzenesulfonic acid IUPAC Name: 4-[(E)-(carbamothioylhydrazinylidene)methyl]benzenesulfonic acid Traditional Name: 4-[(E)-(thiocarbamoylhydrazono)methyl]besylic acid Formula: C8H9N3O3S2 MolecularWeight: 259.30536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=NNC(=S)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1/C=N/NC(=S)N)S(=O)(=O)O

InChI

InChI=1S/C8H9N3O3S2/c9-8(15)11-10-5-6-1-3-7(4-2-6)16(12,13)14/h1-5H,(H3,9,11,15)(H,12,13,14)/b10-5+