3-[2-(3-cyano-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2,1-benzothiazole-5-sulfonic acid

Systemtic Name: 3-[2-(3-cyano-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2,1-benzothiazole-5-sulfonic acid Openeye Name: 3-[2-(3-cyano-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]-2,1-benzothiazole-5-sulfonic acid CAS Name: 3-[2-(3-cyano-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]-2,1-benzothiazole-5-sulfonic acid IUPAC Name: 3-[2-(3-cyano-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]-2,1-benzothiazole-5-sulfonic acid Traditional Name: 3-[N'-(3-cyano-4-keto-cyclohexa-2,5-dien-1-ylidene)hydrazino]-2,1-benzothiazole-5-sulfonic acid Formula: C14H8N4O4S2 MolecularWeight: 360.36772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSC(=C2C=C1S(=O)(=O)O)NN=C3C=CC(=O)C(=C3)C#N

Isomeric SMILES

C1=CC2=NSC(=C2C=C1S(=O)(=O)O)NN=C3C=CC(=O)C(=C3)C#N

InChI

InChI=1S/C14H8N4O4S2/c15-7-8-5-9(1-4-13(8)19)16-17-14-11-6-10(24(20,21)22)2-3-12(11)18-23-14/h1-6,17H,(H,20,21,22)