2-[[[(E)-(2-sulfophenyl)methylideneamino]carbamothioylhydrazinylidene]methyl]benzenesulfonic acid

Systemtic Name: 2-[[[(E)-(2-sulfophenyl)methylideneamino]carbamothioylhydrazinylidene]methyl]benzenesulfonic acid Openeye Name: 2-[[[(E)-(2-sulfophenyl)methyleneamino]carbamothioylhydrazono]methyl]benzenesulfonic acid CAS Name: 2-[[[sulfanylidene-[(2E)-2-[(2-sulfophenyl)methylidene]hydrazinyl]methyl]hydrazinylidene]methyl]benzenesulfonic acid IUPAC Name: 2-[[[(E)-(2-sulfophenyl)methylideneamino]carbamothioylhydrazinylidene]methyl]benzenesulfonic acid Traditional Name: 2-[[[(E)-(2-sulfobenzylidene)amino]thiocarbamoylhydrazono]methyl]besylic acid Formula: C15H14N4O6S3 MolecularWeight: 442.48986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=NNC(=S)NN=CC2=CC=CC=C2S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C=NNC(=S)N/N=C/C2=CC=CC=C2S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C15H14N4O6S3/c20-27(21,22)13-7-3-1-5-11(13)9-16-18-15(26)19-17-10-12-6-2-4-8-14(12)28(23,24)25/h1-10H,(H2,18,19,26)(H,20,21,22)(H,23,24,25)/b16-9+,17-10?