sodium 4-[(2E)-2-(1,3-benzothiazol-2-ylimino)hydrazinyl]benzenesulfonate

Systemtic Name: sodium 4-[(2E)-2-(1,3-benzothiazol-2-ylimino)hydrazinyl]benzenesulfonate Openeye Name: sodium 4-[(2E)-2-(1,3-benzothiazol-2-ylimino)hydrazino]benzenesulfonate CAS Name: sodium 4-[(2E)-2-(1,3-benzothiazol-2-ylimino)hydrazinyl]benzenesulfonate IUPAC Name: sodium 4-[(2E)-2-(1,3-benzothiazol-2-ylimino)hydrazinyl]benzenesulfonate Traditional Name: sodium 4-[(N'E)-N'-(1,3-benzothiazol-2-ylimino)hydrazino]besylate Formula: C13H9N4NaO3S2 MolecularWeight: 356.35533

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N=NNC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/N=N/NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H10N4O3S2.Na/c18-22(19,20)10-7-5-9(6-8-10)15-17-16-13-14-11-3-1-2-4-12(11)21-13;/h1-8H,(H,14,15,16)(H,18,19,20);/q;+1/p-1