5-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxy-benzenesulfonic acid

Systemtic Name: 5-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxy-benzenesulfonic acid Openeye Name: 5-[(E)-(carbamothioylhydrazono)methyl]-2-methoxy-benzenesulfonic acid CAS Name: 5-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxybenzenesulfonic acid IUPAC Name: 5-[(E)-(carbamothioylhydrazinylidene)methyl]-2-methoxybenzenesulfonic acid Traditional Name: 2-methoxy-5-[(E)-(thiocarbamoylhydrazono)methyl]besylic acid Formula: C9H11N3O4S2 MolecularWeight: 289.33134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=S)N)S(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NC(=S)N)S(=O)(=O)O

InChI

InChI=1S/C9H11N3O4S2/c1-16-7-3-2-6(5-11-12-9(10)17)4-8(7)18(13,14)15/h2-5H,1H3,(H3,10,12,17)(H,13,14,15)/b11-5+