sodium 3-[2-(5-acetamido-3-ethanoylimino-4-oxidanylidene-cyclohexa-1,5-dien-1-yl)hydrazinyl]-2,1-benzothiazole-5-sulfonate

Systemtic Name: sodium 3-[2-(5-acetamido-3-ethanoylimino-4-oxidanylidene-cyclohexa-1,5-dien-1-yl)hydrazinyl]-2,1-benzothiazole-5-sulfonate Openeye Name: sodium 3-[2-(5-acetamido-3-acetylimino-4-oxo-cyclohexa-1,5-dien-1-yl)hydrazino]-2,1-benzothiazole-5-sulfonate CAS Name: sodium 3-[(5-acetamido-3-acetylimino-4-oxo-1-cyclohexa-1,5-dienyl)hydrazo]-2,1-benzothiazole-5-sulfonate IUPAC Name: sodium 3-[2-(5-acetamido-3-acetylimino-4-oxocyclohexa-1,5-dien-1-yl)hydrazinyl]-2,1-benzothiazole-5-sulfonate Traditional Name: sodium 3-[N'-(5-acetamido-3-acetylimino-4-keto-cyclohexa-1,5-dien-1-yl)hydrazino]-2,1-benzothiazole-5-sulfonate Formula: C17H14N5NaO6S2 MolecularWeight: 471.44273

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=NC(=O)C)C1=O)NNC2=C3C=C(C=CC3=NS2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)NC1=CC(=CC(=NC(=O)C)C1=O)NNC2=C3C=C(C=CC3=NS2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C17H15N5O6S2.Na/c1-8(23)18-14-5-10(6-15(16(14)25)19-9(2)24)20-21-17-12-7-11(30(26,27)28)3-4-13(12)22-29-17;/h3-7,20-21H,1-2H3,(H,18,23)(H,26,27,28);/q;+1/p-1