3-[(2E)-2-(1-cyano-2-oxidanylidene-2-phenyl-ethylidene)hydrazinyl]-2,1-benzothiazole-5-sulfonic acid

Systemtic Name: 3-[(2E)-2-(1-cyano-2-oxidanylidene-2-phenyl-ethylidene)hydrazinyl]-2,1-benzothiazole-5-sulfonic acid Openeye Name: 3-[(2E)-2-(1-cyano-2-oxo-2-phenyl-ethylidene)hydrazino]-2,1-benzothiazole-5-sulfonic acid CAS Name: 3-[(2E)-2-(1-cyano-2-oxo-2-phenylethylidene)hydrazinyl]-2,1-benzothiazole-5-sulfonic acid IUPAC Name: 3-[(2E)-2-(1-cyano-2-oxo-2-phenylethylidene)hydrazinyl]-2,1-benzothiazole-5-sulfonic acid Traditional Name: 3-[(N'E)-N'-(1-cyano-2-keto-2-phenyl-ethylidene)hydrazino]-2,1-benzothiazole-5-sulfonic acid Formula: C16H10N4O4S2 MolecularWeight: 386.405

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(=NNC2=C3C=C(C=CC3=NS2)S(=O)(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C(=N/NC2=C3C=C(C=CC3=NS2)S(=O)(=O)O)/C#N

InChI

InChI=1S/C16H10N4O4S2/c17-9-14(15(21)10-4-2-1-3-5-10)18-19-16-12-8-11(26(22,23)24)6-7-13(12)20-25-16/h1-8,19H,(H,22,23,24)/b18-14+